Datasets:
scbirlab
/
thomas-2018-spark-all

Dataset card Data Studio Files
xet
 Community
7
spark_compound_id
stringlengths
11
11
spark_SMILES
stringlengths
13
558
spark_synonyms
stringlengths
3
66
⌀
spark_batch_name
int64
1
62
spark_compound_batch_id
stringlengths
15
15
compound_salt
stringclasses
17 values
source_compound_name
stringclasses
280 values
pubchem_id
float64
pubmed_id
float64
21.3M
30.1M
⌀
doi
stringclasses
19 values
source_compound_id
stringclasses
209 values
publication_date
stringdate
2018-09-28 00:00:00
2021-03-07 00:00:00
publication_reference
stringclasses
28 values
spark_mic_project_name
stringclasses
1 value
mic_micrograms_per_ml
stringclasses
412 values
mic_reported_as
stringclasses
6 values
test_article_type
stringclasses
2 values
mic_micromolar
stringlengths
1
10
mic_ineq_operator
stringclasses
3 values
plain_mic_micromolar
float64
0
2.05k
plain_pmic
float64
2.69
9.06
pmic
float64
1.69
10.1
growth_inhibition_threshold
stringclasses
4 values
species
stringclasses
1 value
strain_name
stringclasses
145 values
strain_name_other
stringclasses
14 values
is_clinical_isolate
stringclasses
2 values
accumulation_phenotype
stringclasses
6 values
strain_genotype
stringclasses
82 values
solvent
stringclasses
3 values
media
stringclasses
7 values
mic_method
stringclasses
7 values
curator_notes
stringclasses
23 values
curation_date
stringdate
2018-09-06 00:00:00
2021-02-21 00:00:00
⌀
subset_date
stringdate
2020-04-09 00:00:00
2020-12-10 00:00:00
⌀
spark_extractor
stringclasses
3 values
full_strain_name
stringclasses
145 values
full_strain_name_with_genotype
stringclasses
145 values
id
stringlengths
12
12
smiles
stringlengths
11
574
inchikey
stringlengths
27
27
scaffold
stringclasses
313 values
mwt
float64
102
3.35k
clogp
float64
-13.05
7.49
tpsa
float64
0
1.21k
is_train
bool
1 class
is_test
bool
1 class
is_validation
bool
1 class
SPK-0256370
CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256370-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 44
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
44
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
0.25
MIC
Test article
0.436
eq
0.436
6.360514
6.360514
Visual
Acinetobacter baumannii
ARC2781
null
Yes
Not characterized
WT
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC2781
Acinetobacter baumannii ARC2781
SCB-22216477
CCNC(=O)Nc1cc(-c2nc(C3CC3)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
YTFKJABGFFQSEZ-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nc(C4CC4)cs3)c2)o1
573.227057
3.912
145.17
true
false
false
SPK-0256370
CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256370-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 44
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
44
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.74
eq
1.74
5.759451
5.759451
Visual
Acinetobacter baumannii
ARC2782
null
Yes
Not characterized
OXA-229; OXA-2; IMP-1
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC2782
Acinetobacter baumannii ARC2782 OXA-229; OXA-2; IMP-1
SCB-22216477
CCNC(=O)Nc1cc(-c2nc(C3CC3)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
YTFKJABGFFQSEZ-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nc(C4CC4)cs3)c2)o1
573.227057
3.912
145.17
true
false
false
SPK-0256370
CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256370-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 44
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
44
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.49
eq
3.49
5.457175
5.457175
Visual
Acinetobacter baumannii
ARC3484
null
Yes
Not characterized
TEM-1, OXA-23, OXA-64
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3484
Acinetobacter baumannii ARC3484 TEM-1, OXA-23, OXA-64
SCB-22216477
CCNC(=O)Nc1cc(-c2nc(C3CC3)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
YTFKJABGFFQSEZ-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nc(C4CC4)cs3)c2)o1
573.227057
3.912
145.17
true
false
false
SPK-0256370
CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256370-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 44
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
44
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.49
eq
3.49
5.457175
5.457175
Visual
Acinetobacter baumannii
ARC3485
null
Yes
Not characterized
ADC-ETX1; OXA-82
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3485
Acinetobacter baumannii ARC3485 ADC-ETX1; OXA-82
SCB-22216477
CCNC(=O)Nc1cc(-c2nc(C3CC3)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
YTFKJABGFFQSEZ-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nc(C4CC4)cs3)c2)o1
573.227057
3.912
145.17
true
false
false
SPK-0256370
CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256370-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 44
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
44
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.49
eq
3.49
5.457175
5.457175
Visual
Acinetobacter baumannii
ARC3486
null
Yes
Not characterized
TEM-1; ADC-30; OXA-66; OXA-72
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3486
Acinetobacter baumannii ARC3486 TEM-1; ADC-30; OXA-66; OXA-72
SCB-22216477
CCNC(=O)Nc1cc(-c2nc(C3CC3)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
YTFKJABGFFQSEZ-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nc(C4CC4)cs3)c2)o1
573.227057
3.912
145.17
true
false
false
SPK-0256370
CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256370-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 44
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
44
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.74
eq
1.74
5.759451
5.759451
Visual
Acinetobacter baumannii
ARC3489
null
Yes
Not characterized
ADC-76; OXA-68; OXA-ARC3489
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3489
Acinetobacter baumannii ARC3489 ADC-76; OXA-68; OXA-ARC3489
SCB-22216477
CCNC(=O)Nc1cc(-c2nc(C3CC3)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
YTFKJABGFFQSEZ-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nc(C4CC4)cs3)c2)o1
573.227057
3.912
145.17
true
false
false
SPK-0256370
CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256370-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 44
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
44
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.74
eq
1.74
5.759451
5.759451
Visual
Acinetobacter baumannii
ARC3492
null
Yes
Not characterized
TEM-1; ADC-ETX15; OXA-40; OXA-132
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3492
Acinetobacter baumannii ARC3492 TEM-1; ADC-ETX15; OXA-40; OXA-132
SCB-22216477
CCNC(=O)Nc1cc(-c2nc(C3CC3)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
YTFKJABGFFQSEZ-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nc(C4CC4)cs3)c2)o1
573.227057
3.912
145.17
true
false
false
SPK-0256370
CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256370-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 44
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
44
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.74
eq
1.74
5.759451
5.759451
Visual
Acinetobacter baumannii
ARC3493
null
Yes
Not characterized
ADC-1; OXA-40; OXA-66
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3493
Acinetobacter baumannii ARC3493 ADC-1; OXA-40; OXA-66
SCB-22216477
CCNC(=O)Nc1cc(-c2nc(C3CC3)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
YTFKJABGFFQSEZ-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nc(C4CC4)cs3)c2)o1
573.227057
3.912
145.17
true
false
false
SPK-0256370
CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256370-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 44
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
44
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.74
eq
1.74
5.759451
5.759451
Visual
Acinetobacter baumannii
ARC3495
null
Yes
Not characterized
ADC-ETX9; OXA-40; OXA-109
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3495
Acinetobacter baumannii ARC3495 ADC-ETX9; OXA-40; OXA-109
SCB-22216477
CCNC(=O)Nc1cc(-c2nc(C3CC3)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
YTFKJABGFFQSEZ-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nc(C4CC4)cs3)c2)o1
573.227057
3.912
145.17
true
false
false
SPK-0256370
CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256370-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 44
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
44
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
4
MIC
Test article
6.97
eq
6.97
5.156767
5.156767
Visual
Acinetobacter baumannii
ARC3513
null
Yes
Not characterized
TEM-1, OXA-23, OXA-65
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3513
Acinetobacter baumannii ARC3513 TEM-1, OXA-23, OXA-65
SCB-22216477
CCNC(=O)Nc1cc(-c2nc(C3CC3)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
YTFKJABGFFQSEZ-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nc(C4CC4)cs3)c2)o1
573.227057
3.912
145.17
true
false
false
SPK-0256370
CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256370-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 44
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
44
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.49
eq
3.49
5.457175
5.457175
Visual
Acinetobacter baumannii
ARC3515
null
Yes
Not characterized
OXA-64, OXA-58
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3515
Acinetobacter baumannii ARC3515 OXA-64, OXA-58
SCB-22216477
CCNC(=O)Nc1cc(-c2nc(C3CC3)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
YTFKJABGFFQSEZ-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nc(C4CC4)cs3)c2)o1
573.227057
3.912
145.17
true
false
false
SPK-0256370
CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256370-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 44
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
44
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.49
eq
3.49
5.457175
5.457175
Visual
Acinetobacter baumannii
ARC3657
null
Yes
Not characterized
OXA-130
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3657
Acinetobacter baumannii ARC3657 OXA-130
SCB-22216477
CCNC(=O)Nc1cc(-c2nc(C3CC3)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
YTFKJABGFFQSEZ-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nc(C4CC4)cs3)c2)o1
573.227057
3.912
145.17
true
false
false
SPK-0256370
CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256370-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 44
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
44
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.74
eq
1.74
5.759451
5.759451
Visual
Acinetobacter baumannii
ARC3658
null
Yes
Not characterized
TEM-1; PER-1; ADC-25; OXA-23; OXA-66
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3658
Acinetobacter baumannii ARC3658 TEM-1; PER-1; ADC-25; OXA-23; OXA-66
SCB-22216477
CCNC(=O)Nc1cc(-c2nc(C3CC3)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
YTFKJABGFFQSEZ-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nc(C4CC4)cs3)c2)o1
573.227057
3.912
145.17
true
false
false
SPK-0256370
CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256370-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 44
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
44
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.74
eq
1.74
5.759451
5.759451
Visual
Acinetobacter baumannii
ARC3659
null
Yes
Not characterized
ADC-79; OXA-23, OXA-10/69
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3659
Acinetobacter baumannii ARC3659 ADC-79; OXA-23, OXA-10/69
SCB-22216477
CCNC(=O)Nc1cc(-c2nc(C3CC3)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
YTFKJABGFFQSEZ-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nc(C4CC4)cs3)c2)o1
573.227057
3.912
145.17
true
false
false
SPK-0256370
CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256370-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 44
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
44
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.74
eq
1.74
5.759451
5.759451
Visual
Acinetobacter baumannii
ARC3882
null
Yes
Not characterized
OXA-23, NDM-1, OXA-10
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3882
Acinetobacter baumannii ARC3882 OXA-23, NDM-1, OXA-10
SCB-22216477
CCNC(=O)Nc1cc(-c2nc(C3CC3)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
YTFKJABGFFQSEZ-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nc(C4CC4)cs3)c2)o1
573.227057
3.912
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
0.5
MIC
Test article
0.831
eq
0.831
6.080399
6.080399
Visual
Acinetobacter baumannii
ARC3495
null
Yes
Not characterized
ADC-ETX9; OXA-40; OXA-109
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table 4; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3495
Acinetobacter baumannii ARC3495 ADC-ETX9; OXA-40; OXA-109
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
4
MIC
Test article
6.65
eq
6.65
5.177178
5.177178
Visual
Acinetobacter baumannii
ARC2674
null
Yes
Not characterized
SHV-12; ADC-30; OXA-113
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC2674
Acinetobacter baumannii ARC2674 SHV-12; ADC-30; OXA-113
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
4
MIC
Test article
6.65
eq
6.65
5.177178
5.177178
Visual
Acinetobacter baumannii
ARC2675
null
Yes
Not characterized
SHV-5; ADC-ETX1; OXA-113
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC2675
Acinetobacter baumannii ARC2675 SHV-5; ADC-ETX1; OXA-113
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.66
eq
1.66
5.779892
5.779892
Visual
Acinetobacter baumannii
ARC2728
null
Yes
Not characterized
OXA
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC2728
Acinetobacter baumannii ARC2728 OXA
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.66
eq
1.66
5.779892
5.779892
Visual
Acinetobacter baumannii
ARC2779
null
Yes
Not characterized
OXA-2, VIM-2
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC2779
Acinetobacter baumannii ARC2779 OXA-2, VIM-2
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
0.5
MIC
Test article
0.831
eq
0.831
6.080399
6.080399
Visual
Acinetobacter baumannii
ARC2780
null
Yes
Not characterized
OXA, OXA-2, IMP-1
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC2780
Acinetobacter baumannii ARC2780 OXA, OXA-2, IMP-1
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
0.25
MIC
Test article
0.416
eq
0.416
6.380907
6.380907
Visual
Acinetobacter baumannii
ARC2781
null
Yes
Not characterized
WT
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC2781
Acinetobacter baumannii ARC2781
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.66
eq
1.66
5.779892
5.779892
Visual
Acinetobacter baumannii
ARC2782
null
Yes
Not characterized
OXA-229; OXA-2; IMP-1
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC2782
Acinetobacter baumannii ARC2782 OXA-229; OXA-2; IMP-1
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.32
eq
3.32
5.478862
5.478862
Visual
Acinetobacter baumannii
ARC3484
null
Yes
Not characterized
TEM-1, OXA-23, OXA-64
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3484
Acinetobacter baumannii ARC3484 TEM-1, OXA-23, OXA-64
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.32
eq
3.32
5.478862
5.478862
Visual
Acinetobacter baumannii
ARC3485
null
Yes
Not characterized
ADC-ETX1; OXA-82
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3485
Acinetobacter baumannii ARC3485 ADC-ETX1; OXA-82
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.32
eq
3.32
5.478862
5.478862
Visual
Acinetobacter baumannii
ARC3486
null
Yes
Not characterized
TEM-1; ADC-30; OXA-66; OXA-72
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3486
Acinetobacter baumannii ARC3486 TEM-1; ADC-30; OXA-66; OXA-72
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.66
eq
1.66
5.779892
5.779892
Visual
Acinetobacter baumannii
ARC3489
null
Yes
Not characterized
ADC-76; OXA-68; OXA-ARC3489
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3489
Acinetobacter baumannii ARC3489 ADC-76; OXA-68; OXA-ARC3489
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.66
eq
1.66
5.779892
5.779892
Visual
Acinetobacter baumannii
ARC3492
null
Yes
Not characterized
TEM-1; ADC-ETX15; OXA-40; OXA-132
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3492
Acinetobacter baumannii ARC3492 TEM-1; ADC-ETX15; OXA-40; OXA-132
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.66
eq
1.66
5.779892
5.779892
Visual
Acinetobacter baumannii
ARC3493
null
Yes
Not characterized
ADC-1; OXA-40; OXA-66
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3493
Acinetobacter baumannii ARC3493 ADC-1; OXA-40; OXA-66
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.66
eq
1.66
5.779892
5.779892
Visual
Acinetobacter baumannii
ARC3495
null
Yes
Not characterized
ADC-ETX9; OXA-40; OXA-109
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3495
Acinetobacter baumannii ARC3495 ADC-ETX9; OXA-40; OXA-109
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
4
MIC
Test article
6.65
eq
6.65
5.177178
5.177178
Visual
Acinetobacter baumannii
ARC3513
null
Yes
Not characterized
TEM-1, OXA-23, OXA-65
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3513
Acinetobacter baumannii ARC3513 TEM-1, OXA-23, OXA-65
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.66
eq
1.66
5.779892
5.779892
Visual
Acinetobacter baumannii
ARC3515
null
Yes
Not characterized
OXA-64, OXA-58
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3515
Acinetobacter baumannii ARC3515 OXA-64, OXA-58
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.32
eq
3.32
5.478862
5.478862
Visual
Acinetobacter baumannii
ARC3657
null
Yes
Not characterized
OXA-130
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3657
Acinetobacter baumannii ARC3657 OXA-130
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.66
eq
1.66
5.779892
5.779892
Visual
Acinetobacter baumannii
ARC3658
null
Yes
Not characterized
TEM-1; PER-1; ADC-25; OXA-23; OXA-66
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3658
Acinetobacter baumannii ARC3658 TEM-1; PER-1; ADC-25; OXA-23; OXA-66
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.66
eq
1.66
5.779892
5.779892
Visual
Acinetobacter baumannii
ARC3659
null
Yes
Not characterized
ADC-79; OXA-23, OXA-10/69
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3659
Acinetobacter baumannii ARC3659 ADC-79; OXA-23, OXA-10/69
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256367
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
null
1
SPK-0256367-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 38
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
38
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.66
eq
1.66
5.779892
5.779892
Visual
Acinetobacter baumannii
ARC3882
null
Yes
Not characterized
OXA-23, NDM-1, OXA-10
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3882
Acinetobacter baumannii ARC3882 OXA-23, NDM-1, OXA-10
SCB-34561894
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2N2C3CCC2CN(C)C3)cn1
IDALGTCHRLCQSK-UHFFFAOYSA-N
O=c1[nH]nc(-c2cnc(N3C4CCC3CNC4)c(-c3cnccc3-c3nccs3)c2)o1
601.183141
4.0534
145.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.52
eq
3.52
5.453457
5.453457
Visual
Acinetobacter baumannii
ARC3495
null
Yes
Not characterized
ADC-ETX9; OXA-40; OXA-109
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table 4; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3495
Acinetobacter baumannii ARC3495 ADC-ETX9; OXA-40; OXA-109
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
4
MIC
Test article
7.03
eq
7.03
5.153045
5.153045
Visual
Acinetobacter baumannii
ARC2674
null
Yes
Not characterized
SHV-12; ADC-30; OXA-113
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC2674
Acinetobacter baumannii ARC2674 SHV-12; ADC-30; OXA-113
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
4
MIC
Test article
7.03
eq
7.03
5.153045
5.153045
Visual
Acinetobacter baumannii
ARC2675
null
Yes
Not characterized
SHV-5; ADC-ETX1; OXA-113
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC2675
Acinetobacter baumannii ARC2675 SHV-5; ADC-ETX1; OXA-113
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
1
MIC
Test article
1.76
eq
1.76
5.754487
5.754487
Visual
Acinetobacter baumannii
ARC2728
null
Yes
Not characterized
OXA
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC2728
Acinetobacter baumannii ARC2728 OXA
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.52
eq
3.52
5.453457
5.453457
Visual
Acinetobacter baumannii
ARC2779
null
Yes
Not characterized
OXA-2, VIM-2
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC2779
Acinetobacter baumannii ARC2779 OXA-2, VIM-2
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
0.5
MIC
Test article
0.879
eq
0.879
6.056011
6.056011
Visual
Acinetobacter baumannii
ARC2780
null
Yes
Not characterized
OXA, OXA-2, IMP-1
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC2780
Acinetobacter baumannii ARC2780 OXA, OXA-2, IMP-1
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
0.5
MIC
Test article
0.879
eq
0.879
6.056011
6.056011
Visual
Acinetobacter baumannii
ARC2781
null
Yes
Not characterized
WT
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC2781
Acinetobacter baumannii ARC2781
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.52
eq
3.52
5.453457
5.453457
Visual
Acinetobacter baumannii
ARC2782
null
Yes
Not characterized
OXA-229; OXA-2; IMP-1
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC2782
Acinetobacter baumannii ARC2782 OXA-229; OXA-2; IMP-1
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
4
MIC
Test article
7.03
eq
7.03
5.153045
5.153045
Visual
Acinetobacter baumannii
ARC3484
null
Yes
Not characterized
TEM-1, OXA-23, OXA-64
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3484
Acinetobacter baumannii ARC3484 TEM-1, OXA-23, OXA-64
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.52
eq
3.52
5.453457
5.453457
Visual
Acinetobacter baumannii
ARC3485
null
Yes
Not characterized
ADC-ETX1; OXA-82
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3485
Acinetobacter baumannii ARC3485 ADC-ETX1; OXA-82
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.52
eq
3.52
5.453457
5.453457
Visual
Acinetobacter baumannii
ARC3486
null
Yes
Not characterized
TEM-1; ADC-30; OXA-66; OXA-72
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3486
Acinetobacter baumannii ARC3486 TEM-1; ADC-30; OXA-66; OXA-72
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.52
eq
3.52
5.453457
5.453457
Visual
Acinetobacter baumannii
ARC3489
null
Yes
Not characterized
ADC-76; OXA-68; OXA-ARC3489
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3489
Acinetobacter baumannii ARC3489 ADC-76; OXA-68; OXA-ARC3489
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.52
eq
3.52
5.453457
5.453457
Visual
Acinetobacter baumannii
ARC3492
null
Yes
Not characterized
TEM-1; ADC-ETX15; OXA-40; OXA-132
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3492
Acinetobacter baumannii ARC3492 TEM-1; ADC-ETX15; OXA-40; OXA-132
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.52
eq
3.52
5.453457
5.453457
Visual
Acinetobacter baumannii
ARC3493
null
Yes
Not characterized
ADC-1; OXA-40; OXA-66
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3493
Acinetobacter baumannii ARC3493 ADC-1; OXA-40; OXA-66
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.52
eq
3.52
5.453457
5.453457
Visual
Acinetobacter baumannii
ARC3495
null
Yes
Not characterized
ADC-ETX9; OXA-40; OXA-109
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3495
Acinetobacter baumannii ARC3495 ADC-ETX9; OXA-40; OXA-109
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
8
MIC
Test article
14.1
eq
14.1
4.850781
4.850781
Visual
Acinetobacter baumannii
ARC3513
null
Yes
Not characterized
TEM-1, OXA-23, OXA-65
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3513
Acinetobacter baumannii ARC3513 TEM-1, OXA-23, OXA-65
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
4
MIC
Test article
7.03
eq
7.03
5.153045
5.153045
Visual
Acinetobacter baumannii
ARC3515
null
Yes
Not characterized
OXA-64, OXA-58
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3515
Acinetobacter baumannii ARC3515 OXA-64, OXA-58
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
4
MIC
Test article
7.03
eq
7.03
5.153045
5.153045
Visual
Acinetobacter baumannii
ARC3657
null
Yes
Not characterized
OXA-130
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3657
Acinetobacter baumannii ARC3657 OXA-130
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.52
eq
3.52
5.453457
5.453457
Visual
Acinetobacter baumannii
ARC3658
null
Yes
Not characterized
TEM-1; PER-1; ADC-25; OXA-23; OXA-66
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3658
Acinetobacter baumannii ARC3658 TEM-1; PER-1; ADC-25; OXA-23; OXA-66
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.52
eq
3.52
5.453457
5.453457
Visual
Acinetobacter baumannii
ARC3659
null
Yes
Not characterized
ADC-79; OXA-23, OXA-10/69
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3659
Acinetobacter baumannii ARC3659 ADC-79; OXA-23, OXA-10/69
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256358
CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
null
1
SPK-0256358-001
No Salt, free base or acid
PMID:30125722 - Cmpd : 16
null
30,125,722
https://dx.doi.org/10.1016/j.ejmech.2018.08.025
16
07/03/2021
Ho 2018 Eur. J. Med. Chem. 157:610
Curated Data
2
MIC
Test article
3.52
eq
3.52
5.453457
5.453457
Visual
Acinetobacter baumannii
ARC3882
null
Yes
Not characterized
OXA-23, NDM-1, OXA-10
DMSO
CAMHB
CLSI, inoculum 10^6 CFU/mL
Table S1; TKW
23/12/2020
28/11/2020
JL
Acinetobacter baumannii ARC3882
Acinetobacter baumannii ARC3882 OXA-23, NDM-1, OXA-10
SCB-65401766
CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc3ncccc3nc2N2C3CCC2CN(C)C3)cn1
XRACSVMFYBESAS-UHFFFAOYSA-N
c1cnc2cc(-c3cnccc3-c3nccs3)c(N3C4CCC3CNC4)nc2c1
568.198063
5.2583
99.17
true
false
false
SPK-0256351
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)OCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c2cccc(O)c2O)C(=O)c2cccc(O)c2O)c2ccccc2)C3=O)C(O)=O)c(F)c1
null
1
SPK-0256351-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 1
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
1
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
0.947
Mean
Test article
0.8
eq
0.8
6.09691
6.09691
Visual
Acinetobacter baumannii
ATCC BAA-1800
BAA-1800
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1800
Acinetobacter baumannii ATCC BAA-1800
SCB-10216691
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)OCC4=C(C(=O)O)N5C(=O)[C@@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c6cccc(O)c6O)C(=O)c6cccc(O)c6O)c6ccccc6)[C@H]5SC4)CC3)c(F)c2)C(=O)O1
TXQRVTKRNXERFS-KDPDOHKOSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NC(C(=O)N[C@@H]1C(=O)N2C=C(COC(=O)NCC(=O)N3CCN(c4ccc(N5CCOC5=O)cc4)CC3)CS[C@H]12)c1ccccc1
1,182.37644
1.4329
366.66
true
false
false
SPK-0256351
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)OCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c2cccc(O)c2O)C(=O)c2cccc(O)c2O)c2ccccc2)C3=O)C(O)=O)c(F)c1
null
1
SPK-0256351-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 1
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
1
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
7.39
Mean
Test article
6.25
eq
6.25
5.20412
5.20412
Visual
Acinetobacter baumannii
ATCC BAA-1797
BAA-1797
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1797
Acinetobacter baumannii ATCC BAA-1797
SCB-10216691
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)OCC4=C(C(=O)O)N5C(=O)[C@@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c6cccc(O)c6O)C(=O)c6cccc(O)c6O)c6ccccc6)[C@H]5SC4)CC3)c(F)c2)C(=O)O1
TXQRVTKRNXERFS-KDPDOHKOSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NC(C(=O)N[C@@H]1C(=O)N2C=C(COC(=O)NCC(=O)N3CCN(c4ccc(N5CCOC5=O)cc4)CC3)CS[C@H]12)c1ccccc1
1,182.37644
1.4329
366.66
true
false
false
SPK-0256351
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)OCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c2cccc(O)c2O)C(=O)c2cccc(O)c2O)c2ccccc2)C3=O)C(O)=O)c(F)c1
null
1
SPK-0256351-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 1
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
1
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
0.947
Mean
Test article
0.8
eq
0.8
6.09691
6.09691
Visual
Acinetobacter baumannii
ATCC 17961
CDC 7788
Yes
Wild type
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17961
Acinetobacter baumannii ATCC 17961
SCB-10216691
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)OCC4=C(C(=O)O)N5C(=O)[C@@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c6cccc(O)c6O)C(=O)c6cccc(O)c6O)c6ccccc6)[C@H]5SC4)CC3)c(F)c2)C(=O)O1
TXQRVTKRNXERFS-KDPDOHKOSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NC(C(=O)N[C@@H]1C(=O)N2C=C(COC(=O)NCC(=O)N3CCN(c4ccc(N5CCOC5=O)cc4)CC3)CS[C@H]12)c1ccccc1
1,182.37644
1.4329
366.66
true
false
false
SPK-0256351
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)OCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c2cccc(O)c2O)C(=O)c2cccc(O)c2O)c2ccccc2)C3=O)C(O)=O)c(F)c1
null
1
SPK-0256351-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 1
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
1
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
7.1
Mean
Test article
6
eq
6
5.221849
5.221849
Visual
Acinetobacter baumannii
ATCC 17978/pNT255-ADC-1
null
No
Not characterized
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978/pNT255-ADC-1
Acinetobacter baumannii ATCC 17978/pNT255-ADC-1
SCB-10216691
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)OCC4=C(C(=O)O)N5C(=O)[C@@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c6cccc(O)c6O)C(=O)c6cccc(O)c6O)c6ccccc6)[C@H]5SC4)CC3)c(F)c2)C(=O)O1
TXQRVTKRNXERFS-KDPDOHKOSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NC(C(=O)N[C@@H]1C(=O)N2C=C(COC(=O)NCC(=O)N3CCN(c4ccc(N5CCOC5=O)cc4)CC3)CS[C@H]12)c1ccccc1
1,182.37644
1.4329
366.66
true
false
false
SPK-0256351
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)OCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c2cccc(O)c2O)C(=O)c2cccc(O)c2O)c2ccccc2)C3=O)C(O)=O)c(F)c1
null
1
SPK-0256351-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 1
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
1
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
0.473
Mean
Test article
0.4
eq
0.4
6.39794
6.39794
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-10216691
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)OCC4=C(C(=O)O)N5C(=O)[C@@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c6cccc(O)c6O)C(=O)c6cccc(O)c6O)c6ccccc6)[C@H]5SC4)CC3)c(F)c2)C(=O)O1
TXQRVTKRNXERFS-KDPDOHKOSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NC(C(=O)N[C@@H]1C(=O)N2C=C(COC(=O)NCC(=O)N3CCN(c4ccc(N5CCOC5=O)cc4)CC3)CS[C@H]12)c1ccccc1
1,182.37644
1.4329
366.66
true
false
false
SPK-0256351
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)OCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c2cccc(O)c2O)C(=O)c2cccc(O)c2O)c2ccccc2)C3=O)C(O)=O)c(F)c1
null
1
SPK-0256351-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 1
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
1
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
0.473
Mean
Test article
0.4
eq
0.4
6.39794
6.39794
Visual
Acinetobacter baumannii
ATCC 17978/pNT255
null
No
Not characterized
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978/pNT255
Acinetobacter baumannii ATCC 17978/pNT255
SCB-10216691
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)OCC4=C(C(=O)O)N5C(=O)[C@@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c6cccc(O)c6O)C(=O)c6cccc(O)c6O)c6ccccc6)[C@H]5SC4)CC3)c(F)c2)C(=O)O1
TXQRVTKRNXERFS-KDPDOHKOSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NC(C(=O)N[C@@H]1C(=O)N2C=C(COC(=O)NCC(=O)N3CCN(c4ccc(N5CCOC5=O)cc4)CC3)CS[C@H]12)c1ccccc1
1,182.37644
1.4329
366.66
true
false
false
SPK-0256350
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c1cccc(O)c1O)C(=O)c1cccc(O)c1O)c1ccccc1)C2=O)C(O)=O
null
1
SPK-0256350-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 26
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
26
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
20.1
Mean
Test article
24.9
eq
24.9
4.603801
4.603801
Visual
Acinetobacter baumannii
ATCC BAA-1800
BAA-1800
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1800
Acinetobacter baumannii ATCC BAA-1800
SCB-86725815
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c3cccc(O)c3O)C(=O)c3cccc(O)c3O)c3ccccc3)[C@H]2SC1
UNJFXXOIFRFNJR-FLNMGPFOSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NC(C(=O)N[C@@H]1C(=O)N2C=CCS[C@H]12)c1ccccc1
805.226507
1.3206
272.44
true
false
false
SPK-0256350
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c1cccc(O)c1O)C(=O)c1cccc(O)c1O)c1ccccc1)C2=O)C(O)=O
null
1
SPK-0256350-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 26
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
26
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 40.3
Mean
Test article
> 50.0
gt
50
4.30103
3.30103
Visual
Acinetobacter baumannii
ATCC BAA-1797
BAA-1797
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1797
Acinetobacter baumannii ATCC BAA-1797
SCB-86725815
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c3cccc(O)c3O)C(=O)c3cccc(O)c3O)c3ccccc3)[C@H]2SC1
UNJFXXOIFRFNJR-FLNMGPFOSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NC(C(=O)N[C@@H]1C(=O)N2C=CCS[C@H]12)c1ccccc1
805.226507
1.3206
272.44
true
false
false
SPK-0256350
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c1cccc(O)c1O)C(=O)c1cccc(O)c1O)c1ccccc1)C2=O)C(O)=O
null
1
SPK-0256350-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 26
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
26
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
10.1
Mean
Test article
12.5
eq
12.5
4.90309
4.90309
Visual
Acinetobacter baumannii
ATCC BAA-1793
BAA-1793
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1793
Acinetobacter baumannii ATCC BAA-1793
SCB-86725815
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c3cccc(O)c3O)C(=O)c3cccc(O)c3O)c3ccccc3)[C@H]2SC1
UNJFXXOIFRFNJR-FLNMGPFOSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NC(C(=O)N[C@@H]1C(=O)N2C=CCS[C@H]12)c1ccccc1
805.226507
1.3206
272.44
true
false
false
SPK-0256350
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c1cccc(O)c1O)C(=O)c1cccc(O)c1O)c1ccccc1)C2=O)C(O)=O
null
1
SPK-0256350-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 26
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
26
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
0.645
Mean
Test article
0.8
eq
0.8
6.09691
6.09691
Visual
Acinetobacter baumannii
ATCC 17961
CDC 7788
Yes
Wild type
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17961
Acinetobacter baumannii ATCC 17961
SCB-86725815
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c3cccc(O)c3O)C(=O)c3cccc(O)c3O)c3ccccc3)[C@H]2SC1
UNJFXXOIFRFNJR-FLNMGPFOSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NC(C(=O)N[C@@H]1C(=O)N2C=CCS[C@H]12)c1ccccc1
805.226507
1.3206
272.44
true
false
false
SPK-0256350
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c1cccc(O)c1O)C(=O)c1cccc(O)c1O)c1ccccc1)C2=O)C(O)=O
null
1
SPK-0256350-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 26
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
26
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 40.3
Mean
Test article
> 50.0
gt
50
4.30103
3.30103
Visual
Acinetobacter baumannii
ATCC 17978/pNT255-ADC-1
null
No
Not characterized
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978/pNT255-ADC-1
Acinetobacter baumannii ATCC 17978/pNT255-ADC-1
SCB-86725815
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c3cccc(O)c3O)C(=O)c3cccc(O)c3O)c3ccccc3)[C@H]2SC1
UNJFXXOIFRFNJR-FLNMGPFOSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NC(C(=O)N[C@@H]1C(=O)N2C=CCS[C@H]12)c1ccccc1
805.226507
1.3206
272.44
true
false
false
SPK-0256350
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c1cccc(O)c1O)C(=O)c1cccc(O)c1O)c1ccccc1)C2=O)C(O)=O
null
1
SPK-0256350-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 26
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
26
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
0.322
Mean
Test article
0.4
eq
0.4
6.39794
6.39794
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-86725815
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c3cccc(O)c3O)C(=O)c3cccc(O)c3O)c3ccccc3)[C@H]2SC1
UNJFXXOIFRFNJR-FLNMGPFOSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NC(C(=O)N[C@@H]1C(=O)N2C=CCS[C@H]12)c1ccccc1
805.226507
1.3206
272.44
true
false
false
SPK-0256350
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c1cccc(O)c1O)C(=O)c1cccc(O)c1O)c1ccccc1)C2=O)C(O)=O
null
1
SPK-0256350-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 26
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
26
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
0.322
Mean
Test article
0.4
eq
0.4
6.39794
6.39794
Visual
Acinetobacter baumannii
ATCC 17978/pNT255
null
No
Not characterized
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978/pNT255
Acinetobacter baumannii ATCC 17978/pNT255
SCB-86725815
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(NC(=O)CN(CCCCNC(=O)c3cccc(O)c3O)C(=O)c3cccc(O)c3O)c3ccccc3)[C@H]2SC1
UNJFXXOIFRFNJR-FLNMGPFOSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NC(C(=O)N[C@@H]1C(=O)N2C=CCS[C@H]12)c1ccccc1
805.226507
1.3206
272.44
true
false
false
SPK-0256349
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(N)c1ccccc1)C2=O)C(O)=O
null
1
SPK-0256349-001
1.0 Trifluoroacetate
PMID:29554424 - Cmpd : 23
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
23
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 26.0
Mean
Test article
> 50.1
gt
50.1
4.300162
3.300162
Visual
Acinetobacter baumannii
ATCC BAA-1800
BAA-1800
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1800
Acinetobacter baumannii ATCC BAA-1800
SCB-89638059
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(N)c3ccccc3)[C@H]2SC1
FUBBGQLTSCSAON-QQGYXAEISA-N
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C=CCS[C@H]12
405.099456
-0.0119
139.03
true
false
false
SPK-0256349
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(N)c1ccccc1)C2=O)C(O)=O
null
1
SPK-0256349-001
1.0 Trifluoroacetate
PMID:29554424 - Cmpd : 23
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
23
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 26.0
Mean
Test article
> 50.1
gt
50.1
4.300162
3.300162
Visual
Acinetobacter baumannii
ATCC BAA-1797
BAA-1797
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1797
Acinetobacter baumannii ATCC BAA-1797
SCB-89638059
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(N)c3ccccc3)[C@H]2SC1
FUBBGQLTSCSAON-QQGYXAEISA-N
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C=CCS[C@H]12
405.099456
-0.0119
139.03
true
false
false
SPK-0256349
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(N)c1ccccc1)C2=O)C(O)=O
null
1
SPK-0256349-001
1.0 Trifluoroacetate
PMID:29554424 - Cmpd : 23
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
23
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 26.0
Mean
Test article
> 50.1
gt
50.1
4.300162
3.300162
Visual
Acinetobacter baumannii
ATCC BAA-1793
BAA-1793
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1793
Acinetobacter baumannii ATCC BAA-1793
SCB-89638059
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(N)c3ccccc3)[C@H]2SC1
FUBBGQLTSCSAON-QQGYXAEISA-N
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C=CCS[C@H]12
405.099456
-0.0119
139.03
true
false
false
SPK-0256349
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(N)c1ccccc1)C2=O)C(O)=O
null
1
SPK-0256349-001
1.0 Trifluoroacetate
PMID:29554424 - Cmpd : 23
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
23
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 26.0
Mean
Test article
> 50.1
gt
50.1
4.300162
3.300162
Visual
Acinetobacter baumannii
ATCC 17961
CDC 7788
Yes
Wild type
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17961
Acinetobacter baumannii ATCC 17961
SCB-89638059
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(N)c3ccccc3)[C@H]2SC1
FUBBGQLTSCSAON-QQGYXAEISA-N
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C=CCS[C@H]12
405.099456
-0.0119
139.03
true
false
false
SPK-0256349
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(N)c1ccccc1)C2=O)C(O)=O
null
1
SPK-0256349-001
1.0 Trifluoroacetate
PMID:29554424 - Cmpd : 23
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
23
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 26.0
Mean
Test article
> 50.1
gt
50.1
4.300162
3.300162
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-89638059
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(N)c3ccccc3)[C@H]2SC1
FUBBGQLTSCSAON-QQGYXAEISA-N
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C=CCS[C@H]12
405.099456
-0.0119
139.03
true
false
false
SPK-0256349
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(N)c1ccccc1)C2=O)C(O)=O
null
1
SPK-0256349-001
1.0 Trifluoroacetate
PMID:29554424 - Cmpd : 23
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
23
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 26.0
Mean
Test article
> 50.1
gt
50.1
4.300162
3.300162
Visual
Acinetobacter baumannii
ATCC 17978/pNT255
null
No
Not characterized
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978/pNT255
Acinetobacter baumannii ATCC 17978/pNT255
SCB-89638059
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(N)c3ccccc3)[C@H]2SC1
FUBBGQLTSCSAON-QQGYXAEISA-N
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C=CCS[C@H]12
405.099456
-0.0119
139.03
true
false
false
SPK-0256349
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(N)c1ccccc1)C2=O)C(O)=O
null
1
SPK-0256349-001
1.0 Trifluoroacetate
PMID:29554424 - Cmpd : 23
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
23
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 26.0
Mean
Test article
> 50.1
gt
50.1
4.300162
3.300162
Visual
Acinetobacter baumannii
ATCC 17978/pNT255-ADC-1
null
No
Not characterized
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978/pNT255-ADC-1
Acinetobacter baumannii ATCC 17978/pNT255-ADC-1
SCB-89638059
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(N)c3ccccc3)[C@H]2SC1
FUBBGQLTSCSAON-QQGYXAEISA-N
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C=CCS[C@H]12
405.099456
-0.0119
139.03
true
false
false
SPK-0256348
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)OCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(N)c2ccccc2)C3=O)C(O)=O)c(F)c1
null
1
SPK-0256348-001
1.0 Trifluoroacetate
PMID:29554424 - Cmpd : 22
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
22
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 44.8
Mean
Test article
> 50.0
gt
50
4.30103
3.30103
Visual
Acinetobacter baumannii
ATCC BAA-1800
BAA-1800
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1800
Acinetobacter baumannii ATCC BAA-1800
SCB-55645138
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)OCC4=C(C(=O)O)N5C(=O)[C@@H](NC(=O)C(N)c6ccccc6)[C@H]5SC4)CC3)c(F)c2)C(=O)O1
KMILVRWWYFQGFA-YQKAOVCOSA-N
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C=C(COC(=O)NCC(=O)N3CCN(c4ccc(N5CCOC5=O)cc4)CC3)CS[C@H]12
782.249389
0.1004
233.25
true
false
false
SPK-0256348
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)OCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(N)c2ccccc2)C3=O)C(O)=O)c(F)c1
null
1
SPK-0256348-001
1.0 Trifluoroacetate
PMID:29554424 - Cmpd : 22
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
22
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 44.8
Mean
Test article
> 50.0
gt
50
4.30103
3.30103
Visual
Acinetobacter baumannii
ATCC BAA-1797
BAA-1797
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1797
Acinetobacter baumannii ATCC BAA-1797
SCB-55645138
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)OCC4=C(C(=O)O)N5C(=O)[C@@H](NC(=O)C(N)c6ccccc6)[C@H]5SC4)CC3)c(F)c2)C(=O)O1
KMILVRWWYFQGFA-YQKAOVCOSA-N
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C=C(COC(=O)NCC(=O)N3CCN(c4ccc(N5CCOC5=O)cc4)CC3)CS[C@H]12
782.249389
0.1004
233.25
true
false
false
SPK-0256348
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)OCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(N)c2ccccc2)C3=O)C(O)=O)c(F)c1
null
1
SPK-0256348-001
1.0 Trifluoroacetate
PMID:29554424 - Cmpd : 22
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
22
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 44.8
Mean
Test article
> 50.0
gt
50
4.30103
3.30103
Visual
Acinetobacter baumannii
ATCC BAA-1793
BAA-1793
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1793
Acinetobacter baumannii ATCC BAA-1793
SCB-55645138
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)OCC4=C(C(=O)O)N5C(=O)[C@@H](NC(=O)C(N)c6ccccc6)[C@H]5SC4)CC3)c(F)c2)C(=O)O1
KMILVRWWYFQGFA-YQKAOVCOSA-N
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C=C(COC(=O)NCC(=O)N3CCN(c4ccc(N5CCOC5=O)cc4)CC3)CS[C@H]12
782.249389
0.1004
233.25
true
false
false
SPK-0256348
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)OCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(N)c2ccccc2)C3=O)C(O)=O)c(F)c1
null
1
SPK-0256348-001
1.0 Trifluoroacetate
PMID:29554424 - Cmpd : 22
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
22
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 44.8
Mean
Test article
> 50.0
gt
50
4.30103
3.30103
Visual
Acinetobacter baumannii
ATCC 17961
CDC 7788
Yes
Wild type
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17961
Acinetobacter baumannii ATCC 17961
SCB-55645138
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)OCC4=C(C(=O)O)N5C(=O)[C@@H](NC(=O)C(N)c6ccccc6)[C@H]5SC4)CC3)c(F)c2)C(=O)O1
KMILVRWWYFQGFA-YQKAOVCOSA-N
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C=C(COC(=O)NCC(=O)N3CCN(c4ccc(N5CCOC5=O)cc4)CC3)CS[C@H]12
782.249389
0.1004
233.25
true
false
false
SPK-0256348
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)OCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(N)c2ccccc2)C3=O)C(O)=O)c(F)c1
null
1
SPK-0256348-001
1.0 Trifluoroacetate
PMID:29554424 - Cmpd : 22
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
22
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 44.8
Mean
Test article
> 50.0
gt
50
4.30103
3.30103
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-55645138
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)OCC4=C(C(=O)O)N5C(=O)[C@@H](NC(=O)C(N)c6ccccc6)[C@H]5SC4)CC3)c(F)c2)C(=O)O1
KMILVRWWYFQGFA-YQKAOVCOSA-N
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C=C(COC(=O)NCC(=O)N3CCN(c4ccc(N5CCOC5=O)cc4)CC3)CS[C@H]12
782.249389
0.1004
233.25
true
false
false
SPK-0256348
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)OCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(N)c2ccccc2)C3=O)C(O)=O)c(F)c1
null
1
SPK-0256348-001
1.0 Trifluoroacetate
PMID:29554424 - Cmpd : 22
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
22
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 44.8
Mean
Test article
> 50.0
gt
50
4.30103
3.30103
Visual
Acinetobacter baumannii
ATCC 17978/pNT255
null
No
Not characterized
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978/pNT255
Acinetobacter baumannii ATCC 17978/pNT255
SCB-55645138
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)OCC4=C(C(=O)O)N5C(=O)[C@@H](NC(=O)C(N)c6ccccc6)[C@H]5SC4)CC3)c(F)c2)C(=O)O1
KMILVRWWYFQGFA-YQKAOVCOSA-N
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C=C(COC(=O)NCC(=O)N3CCN(c4ccc(N5CCOC5=O)cc4)CC3)CS[C@H]12
782.249389
0.1004
233.25
true
false
false
SPK-0256348
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)OCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(N)c2ccccc2)C3=O)C(O)=O)c(F)c1
null
1
SPK-0256348-001
1.0 Trifluoroacetate
PMID:29554424 - Cmpd : 22
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
22
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 44.8
Mean
Test article
> 50.0
gt
50
4.30103
3.30103
Visual
Acinetobacter baumannii
ATCC 17978/pNT255-ADC-1
null
No
Not characterized
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978/pNT255-ADC-1
Acinetobacter baumannii ATCC 17978/pNT255-ADC-1
SCB-55645138
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)OCC4=C(C(=O)O)N5C(=O)[C@@H](NC(=O)C(N)c6ccccc6)[C@H]5SC4)CC3)c(F)c2)C(=O)O1
KMILVRWWYFQGFA-YQKAOVCOSA-N
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C=C(COC(=O)NCC(=O)N3CCN(c4ccc(N5CCOC5=O)cc4)CC3)CS[C@H]12
782.249389
0.1004
233.25
true
false
false
SPK-0256347
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)CN(CCCCNC(=O)c2cccc(O)c2O)C(=O)c2cccc(O)c2O)c(F)c1
null
1
SPK-0256347-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 27
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
27
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 39.7
Mean
Test article
> 50.0
gt
50
4.30103
3.30103
Visual
Acinetobacter baumannii
ATCC BAA-1800
BAA-1800
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1800
Acinetobacter baumannii ATCC BAA-1800
SCB-35268561
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)CN(CCCCNC(=O)c4cccc(O)c4O)C(=O)c4cccc(O)c4O)CC3)c(F)c2)C(=O)O1
VFTQDBSELRLHMD-VWLOTQADSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NCC(=O)N1CCN(c2ccc(N3CCOC3=O)cc2)CC1
793.308283
1.2268
241.62
true
false
false
SPK-0256347
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)CN(CCCCNC(=O)c2cccc(O)c2O)C(=O)c2cccc(O)c2O)c(F)c1
null
1
SPK-0256347-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 27
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
27
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 39.7
Mean
Test article
> 50.0
gt
50
4.30103
3.30103
Visual
Acinetobacter baumannii
ATCC BAA-1797
BAA-1797
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1797
Acinetobacter baumannii ATCC BAA-1797
SCB-35268561
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)CN(CCCCNC(=O)c4cccc(O)c4O)C(=O)c4cccc(O)c4O)CC3)c(F)c2)C(=O)O1
VFTQDBSELRLHMD-VWLOTQADSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NCC(=O)N1CCN(c2ccc(N3CCOC3=O)cc2)CC1
793.308283
1.2268
241.62
true
false
false
SPK-0256347
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)CN(CCCCNC(=O)c2cccc(O)c2O)C(=O)c2cccc(O)c2O)c(F)c1
null
1
SPK-0256347-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 27
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
27
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 39.7
Mean
Test article
> 50.0
gt
50
4.30103
3.30103
Visual
Acinetobacter baumannii
ATCC BAA-1793
BAA-1793
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1793
Acinetobacter baumannii ATCC BAA-1793
SCB-35268561
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)CN(CCCCNC(=O)c4cccc(O)c4O)C(=O)c4cccc(O)c4O)CC3)c(F)c2)C(=O)O1
VFTQDBSELRLHMD-VWLOTQADSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NCC(=O)N1CCN(c2ccc(N3CCOC3=O)cc2)CC1
793.308283
1.2268
241.62
true
false
false
SPK-0256347
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)CN(CCCCNC(=O)c2cccc(O)c2O)C(=O)c2cccc(O)c2O)c(F)c1
null
1
SPK-0256347-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 27
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
27
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 39.7
Mean
Test article
> 50.0
gt
50
4.30103
3.30103
Visual
Acinetobacter baumannii
ATCC 17961
CDC 7788
Yes
Wild type
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17961
Acinetobacter baumannii ATCC 17961
SCB-35268561
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)CN(CCCCNC(=O)c4cccc(O)c4O)C(=O)c4cccc(O)c4O)CC3)c(F)c2)C(=O)O1
VFTQDBSELRLHMD-VWLOTQADSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NCC(=O)N1CCN(c2ccc(N3CCOC3=O)cc2)CC1
793.308283
1.2268
241.62
true
false
false
SPK-0256347
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)CN(CCCCNC(=O)c2cccc(O)c2O)C(=O)c2cccc(O)c2O)c(F)c1
null
1
SPK-0256347-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 27
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
27
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 39.7
Mean
Test article
> 50.0
gt
50
4.30103
3.30103
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-35268561
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)CN(CCCCNC(=O)c4cccc(O)c4O)C(=O)c4cccc(O)c4O)CC3)c(F)c2)C(=O)O1
VFTQDBSELRLHMD-VWLOTQADSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NCC(=O)N1CCN(c2ccc(N3CCOC3=O)cc2)CC1
793.308283
1.2268
241.62
true
false
false
SPK-0256347
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)CN(CCCCNC(=O)c2cccc(O)c2O)C(=O)c2cccc(O)c2O)c(F)c1
null
1
SPK-0256347-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 27
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
27
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 39.7
Mean
Test article
> 50.0
gt
50
4.30103
3.30103
Visual
Acinetobacter baumannii
ATCC 17978/pNT255
null
No
Not characterized
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978/pNT255
Acinetobacter baumannii ATCC 17978/pNT255
SCB-35268561
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)CN(CCCCNC(=O)c4cccc(O)c4O)C(=O)c4cccc(O)c4O)CC3)c(F)c2)C(=O)O1
VFTQDBSELRLHMD-VWLOTQADSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NCC(=O)N1CCN(c2ccc(N3CCOC3=O)cc2)CC1
793.308283
1.2268
241.62
true
false
false
SPK-0256347
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CNC(=O)CN(CCCCNC(=O)c2cccc(O)c2O)C(=O)c2cccc(O)c2O)c(F)c1
null
1
SPK-0256347-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 27
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
27
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 39.7
Mean
Test article
> 50.0
gt
50
4.30103
3.30103
Visual
Acinetobacter baumannii
ATCC 17978/pNT255-ADC-1
null
No
Not characterized
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978/pNT255-ADC-1
Acinetobacter baumannii ATCC 17978/pNT255-ADC-1
SCB-35268561
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)CN(CCCCNC(=O)c4cccc(O)c4O)C(=O)c4cccc(O)c4O)CC3)c(F)c2)C(=O)O1
VFTQDBSELRLHMD-VWLOTQADSA-N
O=C(CN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1)NCC(=O)N1CCN(c2ccc(N3CCOC3=O)cc2)CC1
793.308283
1.2268
241.62
true
false
false
SPK-0256346
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CN)c(F)c1
null
1
SPK-0256346-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 3
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
3
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 19.7
Mean
Test article
> 50.1
gt
50.1
4.300162
3.300162
Visual
Acinetobacter baumannii
ATCC BAA-1800
BAA-1800
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1800
Acinetobacter baumannii ATCC BAA-1800
SCB-59612255
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CN)CC3)c(F)c2)C(=O)O1
PJXJVYZTQDPOHK-AWEZNQCLSA-N
O=C1OCCN1c1ccc(N2CCNCC2)cc1
393.181232
-0.1057
108.21
true
false
false
SPK-0256346
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CN)c(F)c1
null
1
SPK-0256346-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 3
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
3
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 19.7
Mean
Test article
> 50.1
gt
50.1
4.300162
3.300162
Visual
Acinetobacter baumannii
ATCC BAA-1797
BAA-1797
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1797
Acinetobacter baumannii ATCC BAA-1797
SCB-59612255
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CN)CC3)c(F)c2)C(=O)O1
PJXJVYZTQDPOHK-AWEZNQCLSA-N
O=C1OCCN1c1ccc(N2CCNCC2)cc1
393.181232
-0.1057
108.21
true
false
false
SPK-0256346
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CN)c(F)c1
null
1
SPK-0256346-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 3
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
3
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 19.7
Mean
Test article
> 50.1
gt
50.1
4.300162
3.300162
Visual
Acinetobacter baumannii
ATCC BAA-1793
BAA-1793
Yes
Not characterized
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC BAA-1793
Acinetobacter baumannii ATCC BAA-1793
SCB-59612255
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CN)CC3)c(F)c2)C(=O)O1
PJXJVYZTQDPOHK-AWEZNQCLSA-N
O=C1OCCN1c1ccc(N2CCNCC2)cc1
393.181232
-0.1057
108.21
true
false
false
SPK-0256346
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CN)c(F)c1
null
1
SPK-0256346-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 3
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
3
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 19.7
Mean
Test article
> 50.1
gt
50.1
4.300162
3.300162
Visual
Acinetobacter baumannii
ATCC 17961
CDC 7788
Yes
Wild type
WT
DMSO
MHBCa
CLSI
Table 2; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17961
Acinetobacter baumannii ATCC 17961
SCB-59612255
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CN)CC3)c(F)c2)C(=O)O1
PJXJVYZTQDPOHK-AWEZNQCLSA-N
O=C1OCCN1c1ccc(N2CCNCC2)cc1
393.181232
-0.1057
108.21
true
false
false
SPK-0256346
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CN)c(F)c1
null
1
SPK-0256346-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 3
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
3
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 197
Mean
Test article
> 501
gt
501
3.300162
2.300162
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-59612255
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CN)CC3)c(F)c2)C(=O)O1
PJXJVYZTQDPOHK-AWEZNQCLSA-N
O=C1OCCN1c1ccc(N2CCNCC2)cc1
393.181232
-0.1057
108.21
true
false
false
SPK-0256346
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CN)c(F)c1
null
1
SPK-0256346-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 3
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
3
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 197
Mean
Test article
> 501
gt
501
3.300162
2.300162
Visual
Acinetobacter baumannii
ATCC 17978/pNT255
null
No
Not characterized
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978/pNT255
Acinetobacter baumannii ATCC 17978/pNT255
SCB-59612255
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CN)CC3)c(F)c2)C(=O)O1
PJXJVYZTQDPOHK-AWEZNQCLSA-N
O=C1OCCN1c1ccc(N2CCNCC2)cc1
393.181232
-0.1057
108.21
true
false
false
SPK-0256346
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CN)c(F)c1
null
1
SPK-0256346-001
No Salt, free base or acid
PMID:29554424 - Cmpd : 3
null
29,554,424
https://dx.doi.org/10.1021/acs.jmedchem.8b00218
3
17/02/2021
Liu 2018 J. Med. Chem. 61:3845
Curated Data
> 197
Mean
Test article
> 501
gt
501
3.300162
2.300162
Visual
Acinetobacter baumannii
ATCC 17978/pNT255-ADC-1
null
No
Not characterized
WT
DMSO
MHBCa
CLSI
Table 1; JL
21/02/2021
18/11/2020
JL
Acinetobacter baumannii ATCC 17978/pNT255-ADC-1
Acinetobacter baumannii ATCC 17978/pNT255-ADC-1
SCB-59612255
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CN)CC3)c(F)c2)C(=O)O1
PJXJVYZTQDPOHK-AWEZNQCLSA-N
O=C1OCCN1c1ccc(N2CCNCC2)cc1
393.181232
-0.1057
108.21
true
false
false
SPK-0256228
COc1ccc2ccc(=O)n(C[C@H](N)[C@@H]3CC[C@H](CO3)NCc3ccc4OCC(=O)Nc4n3)c2n1
null
1
SPK-0256228-001
No Salt, free base or acid
PMID:28406300 - Cmpd : 6
null
28,406,300
https://dx.doi.org/10.1021/acs.jmedchem.6b01831
6
06/03/2021
Surivet 2017 J. Med. Chem. 60:3776
Curated Data
1
Mean
Test article
2.08
eq
2.08
5.681937
5.681937
Visual
Acinetobacter baumannii
T6474
null
Yes
Not characterized
GyrA (S83L); ParC (S80L)
DMSO
CAMHB
CLSI, broth microdilution
Table 5; TKW
04/01/2021
27/11/2020
JL
Acinetobacter baumannii T6474
Acinetobacter baumannii T6474 GyrA (S83L); ParC (S80L)
SCB-79416796
COc1ccc2ccc(=O)n(C[C@H](N)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1
GRWVMPJVTIWGHC-SQNIBIBYSA-N
O=C1COc2ccc(CN[C@@H]3CC[C@@H](CCn4c(=O)ccc5cccnc54)OC3)nc2N1
480.212118
0.7957
142.62
true
false
false
SPK-0256228
COc1ccc2ccc(=O)n(C[C@H](N)[C@@H]3CC[C@H](CO3)NCc3ccc4OCC(=O)Nc4n3)c2n1
null
1
SPK-0256228-001
No Salt, free base or acid
PMID:28406300 - Cmpd : 6
null
28,406,300
https://dx.doi.org/10.1021/acs.jmedchem.6b01831
6
06/03/2021
Surivet 2017 J. Med. Chem. 60:3776
Curated Data
1
Mean
Test article
2.08
eq
2.08
5.681937
5.681937
Visual
Acinetobacter baumannii
T6474
null
Yes
Not characterized
GyrA (S83L); ParC (S80L)
DMSO
CAMHB
CLSI, broth microdilution
Table S1; TKW
04/01/2021
27/11/2020
JL
Acinetobacter baumannii T6474
Acinetobacter baumannii T6474 GyrA (S83L); ParC (S80L)
SCB-79416796
COc1ccc2ccc(=O)n(C[C@H](N)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1
GRWVMPJVTIWGHC-SQNIBIBYSA-N
O=C1COc2ccc(CN[C@@H]3CC[C@@H](CCn4c(=O)ccc5cccnc54)OC3)nc2N1
480.212118
0.7957
142.62
true
false
false