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-0256455
Nc1nccc(n1)-c1c[nH]c2ccccc12
null
1
SPK-0256455-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9o
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9o
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 49.3
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-97563019
Nc1nccc(-c2c[nH]c3ccccc23)n1
QNMZWFNNJMGJPU-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
210.090546
2.2071
67.59
true
false
false
SPK-0256455
Nc1nccc(n1)-c1c[nH]c2ccccc12
null
1
SPK-0256455-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9o
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9o
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 49.3
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
AB5075
5075
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii AB5075
Acinetobacter baumannii AB5075
SCB-97563019
Nc1nccc(-c2c[nH]c3ccccc23)n1
QNMZWFNNJMGJPU-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
210.090546
2.2071
67.59
true
false
false
SPK-0256454
Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1
null
1
SPK-0256454-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9n
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9n
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM005
ATCC 17978/pMQ124XLAB1-mcr-1
No
Wild type
ATCC 17978 mcr-1
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM005
Acinetobacter baumannii HM005 ATCC 17978 mcr-1
SCB-34422762
Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1
JVHLVMMTGLVOTI-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
224.106196
2.51552
67.59
true
false
false
SPK-0256454
Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1
null
1
SPK-0256454-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9n
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9n
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-34422762
Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1
JVHLVMMTGLVOTI-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
224.106196
2.51552
67.59
true
false
false
SPK-0256454
Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1
null
1
SPK-0256454-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9n
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9n
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM001
3941
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM001
Acinetobacter baumannii HM001
SCB-34422762
Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1
JVHLVMMTGLVOTI-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
224.106196
2.51552
67.59
true
false
false
SPK-0256454
Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1
null
1
SPK-0256454-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9n
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9n
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM002
4106
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM002
Acinetobacter baumannii HM002
SCB-34422762
Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1
JVHLVMMTGLVOTI-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
224.106196
2.51552
67.59
true
false
false
SPK-0256454
Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1
null
1
SPK-0256454-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9n
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9n
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-34422762
Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1
JVHLVMMTGLVOTI-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
224.106196
2.51552
67.59
true
false
false
SPK-0256454
Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1
null
1
SPK-0256454-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9n
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9n
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
AB5075
5075
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii AB5075
Acinetobacter baumannii AB5075
SCB-34422762
Cc1ccc2[nH]cc(-c3ccnc(N)n3)c2c1
JVHLVMMTGLVOTI-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
224.106196
2.51552
67.59
true
false
false
SPK-0256453
Nc1nccc(n1)-c1c[nH]c2cc(F)ccc12
null
1
SPK-0256453-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9m
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9m
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM005
ATCC 17978/pMQ124XLAB1-mcr-1
No
Wild type
ATCC 17978 mcr-1
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM005
Acinetobacter baumannii HM005 ATCC 17978 mcr-1
SCB-67513570
Nc1nccc(-c2c[nH]c3cc(F)ccc23)n1
NBDCETNQQITAPO-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
228.081125
2.3462
67.59
true
false
false
SPK-0256453
Nc1nccc(n1)-c1c[nH]c2cc(F)ccc12
null
1
SPK-0256453-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9m
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9m
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-67513570
Nc1nccc(-c2c[nH]c3cc(F)ccc23)n1
NBDCETNQQITAPO-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
228.081125
2.3462
67.59
true
false
false
SPK-0256453
Nc1nccc(n1)-c1c[nH]c2cc(F)ccc12
null
1
SPK-0256453-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9m
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9m
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM001
3941
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM001
Acinetobacter baumannii HM001
SCB-67513570
Nc1nccc(-c2c[nH]c3cc(F)ccc23)n1
NBDCETNQQITAPO-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
228.081125
2.3462
67.59
true
false
false
SPK-0256453
Nc1nccc(n1)-c1c[nH]c2cc(F)ccc12
null
1
SPK-0256453-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9m
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9m
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM002
4106
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM002
Acinetobacter baumannii HM002
SCB-67513570
Nc1nccc(-c2c[nH]c3cc(F)ccc23)n1
NBDCETNQQITAPO-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
228.081125
2.3462
67.59
true
false
false
SPK-0256453
Nc1nccc(n1)-c1c[nH]c2cc(F)ccc12
null
1
SPK-0256453-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9m
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9m
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-67513570
Nc1nccc(-c2c[nH]c3cc(F)ccc23)n1
NBDCETNQQITAPO-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
228.081125
2.3462
67.59
true
false
false
SPK-0256453
Nc1nccc(n1)-c1c[nH]c2cc(F)ccc12
null
1
SPK-0256453-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9m
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9m
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
AB5075
5075
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii AB5075
Acinetobacter baumannii AB5075
SCB-67513570
Nc1nccc(-c2c[nH]c3cc(F)ccc23)n1
NBDCETNQQITAPO-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
228.081125
2.3462
67.59
true
false
false
SPK-0256452
Nc1nccc(n1)-c1c[nH]c2ccc(F)cc12
null
1
SPK-0256452-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9l
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9l
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM005
ATCC 17978/pMQ124XLAB1-mcr-1
No
Wild type
ATCC 17978 mcr-1
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM005
Acinetobacter baumannii HM005 ATCC 17978 mcr-1
SCB-11563033
Nc1nccc(-c2c[nH]c3ccc(F)cc23)n1
CLISAWKUUPAUPU-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
228.081125
2.3462
67.59
true
false
false
SPK-0256452
Nc1nccc(n1)-c1c[nH]c2ccc(F)cc12
null
1
SPK-0256452-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9l
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9l
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-11563033
Nc1nccc(-c2c[nH]c3ccc(F)cc23)n1
CLISAWKUUPAUPU-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
228.081125
2.3462
67.59
true
false
false
SPK-0256452
Nc1nccc(n1)-c1c[nH]c2ccc(F)cc12
null
1
SPK-0256452-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9l
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9l
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM001
3941
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM001
Acinetobacter baumannii HM001
SCB-11563033
Nc1nccc(-c2c[nH]c3ccc(F)cc23)n1
CLISAWKUUPAUPU-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
228.081125
2.3462
67.59
true
false
false
SPK-0256452
Nc1nccc(n1)-c1c[nH]c2ccc(F)cc12
null
1
SPK-0256452-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9l
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9l
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM002
4106
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM002
Acinetobacter baumannii HM002
SCB-11563033
Nc1nccc(-c2c[nH]c3ccc(F)cc23)n1
CLISAWKUUPAUPU-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
228.081125
2.3462
67.59
true
false
false
SPK-0256452
Nc1nccc(n1)-c1c[nH]c2ccc(F)cc12
null
1
SPK-0256452-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9l
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9l
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-11563033
Nc1nccc(-c2c[nH]c3ccc(F)cc23)n1
CLISAWKUUPAUPU-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
228.081125
2.3462
67.59
true
false
false
SPK-0256452
Nc1nccc(n1)-c1c[nH]c2ccc(F)cc12
null
1
SPK-0256452-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9l
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9l
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 52.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
AB5075
5075
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii AB5075
Acinetobacter baumannii AB5075
SCB-11563033
Nc1nccc(-c2c[nH]c3ccc(F)cc23)n1
CLISAWKUUPAUPU-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
228.081125
2.3462
67.59
true
false
false
SPK-0256451
Nc1nccc(n1)-c1c[nH]c2cccc(Br)c12
null
1
SPK-0256451-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9k
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9k
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM005
ATCC 17978/pMQ124XLAB1-mcr-1
No
Wild type
ATCC 17978 mcr-1
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM005
Acinetobacter baumannii HM005 ATCC 17978 mcr-1
SCB-10266152
Nc1nccc(-c2c[nH]c3cccc(Br)c23)n1
OFIIDVYQPHIIQL-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256451
Nc1nccc(n1)-c1c[nH]c2cccc(Br)c12
null
1
SPK-0256451-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9k
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9k
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-10266152
Nc1nccc(-c2c[nH]c3cccc(Br)c23)n1
OFIIDVYQPHIIQL-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256451
Nc1nccc(n1)-c1c[nH]c2cccc(Br)c12
null
1
SPK-0256451-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9k
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9k
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM001
3941
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM001
Acinetobacter baumannii HM001
SCB-10266152
Nc1nccc(-c2c[nH]c3cccc(Br)c23)n1
OFIIDVYQPHIIQL-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256451
Nc1nccc(n1)-c1c[nH]c2cccc(Br)c12
null
1
SPK-0256451-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9k
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9k
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM002
4106
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM002
Acinetobacter baumannii HM002
SCB-10266152
Nc1nccc(-c2c[nH]c3cccc(Br)c23)n1
OFIIDVYQPHIIQL-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256451
Nc1nccc(n1)-c1c[nH]c2cccc(Br)c12
null
1
SPK-0256451-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9k
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9k
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-10266152
Nc1nccc(-c2c[nH]c3cccc(Br)c23)n1
OFIIDVYQPHIIQL-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256451
Nc1nccc(n1)-c1c[nH]c2cccc(Br)c12
null
1
SPK-0256451-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9k
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9k
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
AB5075
5075
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii AB5075
Acinetobacter baumannii AB5075
SCB-10266152
Nc1nccc(-c2c[nH]c3cccc(Br)c23)n1
OFIIDVYQPHIIQL-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256450
Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
null
1
SPK-0256450-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9j
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9j
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM005
ATCC 17978/pMQ124XLAB1-mcr-1
No
Wild type
ATCC 17978 mcr-1
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM005
Acinetobacter baumannii HM005 ATCC 17978 mcr-1
SCB-48201995
Nc1nccc(-c2c[nH]c3c(Br)cccc23)n1
VHKRTWNLRWRPSB-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256450
Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
null
1
SPK-0256450-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9j
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9j
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-48201995
Nc1nccc(-c2c[nH]c3c(Br)cccc23)n1
VHKRTWNLRWRPSB-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256450
Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
null
1
SPK-0256450-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9j
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9j
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM001
3941
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM001
Acinetobacter baumannii HM001
SCB-48201995
Nc1nccc(-c2c[nH]c3c(Br)cccc23)n1
VHKRTWNLRWRPSB-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256450
Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
null
1
SPK-0256450-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9j
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9j
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM002
4106
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM002
Acinetobacter baumannii HM002
SCB-48201995
Nc1nccc(-c2c[nH]c3c(Br)cccc23)n1
VHKRTWNLRWRPSB-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256450
Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
null
1
SPK-0256450-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9j
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9j
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-48201995
Nc1nccc(-c2c[nH]c3c(Br)cccc23)n1
VHKRTWNLRWRPSB-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256450
Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
null
1
SPK-0256450-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9j
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9j
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
AB5075
5075
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii AB5075
Acinetobacter baumannii AB5075
SCB-48201995
Nc1nccc(-c2c[nH]c3c(Br)cccc23)n1
VHKRTWNLRWRPSB-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256449
Nc1nccc(n1)-c1c[nH]c2cc(Cl)ccc12
null
1
SPK-0256449-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9i
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9i
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 56.2
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM005
ATCC 17978/pMQ124XLAB1-mcr-1
No
Wild type
ATCC 17978 mcr-1
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM005
Acinetobacter baumannii HM005 ATCC 17978 mcr-1
SCB-17247111
Nc1nccc(-c2c[nH]c3cc(Cl)ccc23)n1
CTBDAPMROQIBKY-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
244.051574
2.8605
67.59
true
false
false
SPK-0256449
Nc1nccc(n1)-c1c[nH]c2cc(Cl)ccc12
null
1
SPK-0256449-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9i
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9i
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 56.2
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-17247111
Nc1nccc(-c2c[nH]c3cc(Cl)ccc23)n1
CTBDAPMROQIBKY-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
244.051574
2.8605
67.59
true
false
false
SPK-0256449
Nc1nccc(n1)-c1c[nH]c2cc(Cl)ccc12
null
1
SPK-0256449-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9i
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9i
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 56.2
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM001
3941
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM001
Acinetobacter baumannii HM001
SCB-17247111
Nc1nccc(-c2c[nH]c3cc(Cl)ccc23)n1
CTBDAPMROQIBKY-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
244.051574
2.8605
67.59
true
false
false
SPK-0256449
Nc1nccc(n1)-c1c[nH]c2cc(Cl)ccc12
null
1
SPK-0256449-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9i
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9i
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 56.2
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM002
4106
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM002
Acinetobacter baumannii HM002
SCB-17247111
Nc1nccc(-c2c[nH]c3cc(Cl)ccc23)n1
CTBDAPMROQIBKY-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
244.051574
2.8605
67.59
true
false
false
SPK-0256449
Nc1nccc(n1)-c1c[nH]c2cc(Cl)ccc12
null
1
SPK-0256449-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9i
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9i
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 56.2
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-17247111
Nc1nccc(-c2c[nH]c3cc(Cl)ccc23)n1
CTBDAPMROQIBKY-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
244.051574
2.8605
67.59
true
false
false
SPK-0256449
Nc1nccc(n1)-c1c[nH]c2cc(Cl)ccc12
null
1
SPK-0256449-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9i
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9i
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 56.2
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
AB5075
5075
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii AB5075
Acinetobacter baumannii AB5075
SCB-17247111
Nc1nccc(-c2c[nH]c3cc(Cl)ccc23)n1
CTBDAPMROQIBKY-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
244.051574
2.8605
67.59
true
false
false
SPK-0256448
Nc1nccc(n1)-c1c[nH]c2ccc(Cl)cc12
null
1
SPK-0256448-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9h
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9h
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 56.2
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM005
ATCC 17978/pMQ124XLAB1-mcr-1
No
Wild type
ATCC 17978 mcr-1
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM005
Acinetobacter baumannii HM005 ATCC 17978 mcr-1
SCB-93094007
Nc1nccc(-c2c[nH]c3ccc(Cl)cc23)n1
QTOKCXOZFVIQTP-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
244.051574
2.8605
67.59
true
false
false
SPK-0256448
Nc1nccc(n1)-c1c[nH]c2ccc(Cl)cc12
null
1
SPK-0256448-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9h
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9h
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 56.2
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-93094007
Nc1nccc(-c2c[nH]c3ccc(Cl)cc23)n1
QTOKCXOZFVIQTP-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
244.051574
2.8605
67.59
true
false
false
SPK-0256448
Nc1nccc(n1)-c1c[nH]c2ccc(Cl)cc12
null
1
SPK-0256448-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9h
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9h
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 56.2
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM001
3941
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM001
Acinetobacter baumannii HM001
SCB-93094007
Nc1nccc(-c2c[nH]c3ccc(Cl)cc23)n1
QTOKCXOZFVIQTP-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
244.051574
2.8605
67.59
true
false
false
SPK-0256448
Nc1nccc(n1)-c1c[nH]c2ccc(Cl)cc12
null
1
SPK-0256448-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9h
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9h
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 56.2
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM002
4106
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM002
Acinetobacter baumannii HM002
SCB-93094007
Nc1nccc(-c2c[nH]c3ccc(Cl)cc23)n1
QTOKCXOZFVIQTP-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
244.051574
2.8605
67.59
true
false
false
SPK-0256448
Nc1nccc(n1)-c1c[nH]c2ccc(Cl)cc12
null
1
SPK-0256448-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9h
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9h
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 56.2
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-93094007
Nc1nccc(-c2c[nH]c3ccc(Cl)cc23)n1
QTOKCXOZFVIQTP-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
244.051574
2.8605
67.59
true
false
false
SPK-0256448
Nc1nccc(n1)-c1c[nH]c2ccc(Cl)cc12
null
1
SPK-0256448-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9h
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9h
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 56.2
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
AB5075
5075
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii AB5075
Acinetobacter baumannii AB5075
SCB-93094007
Nc1nccc(-c2c[nH]c3ccc(Cl)cc23)n1
QTOKCXOZFVIQTP-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
244.051574
2.8605
67.59
true
false
false
SPK-0256447
Nc1nccc(n1)-c1c[nH]c2ccc(I)cc12
null
1
SPK-0256447-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9g
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9g
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 74.5
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM005
ATCC 17978/pMQ124XLAB1-mcr-1
No
Wild type
ATCC 17978 mcr-1
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM005
Acinetobacter baumannii HM005 ATCC 17978 mcr-1
SCB-73783812
Nc1nccc(-c2c[nH]c3ccc(I)cc23)n1
JAXRCOJQAXDWCT-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
335.987194
2.8117
67.59
true
false
false
SPK-0256447
Nc1nccc(n1)-c1c[nH]c2ccc(I)cc12
null
1
SPK-0256447-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9g
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9g
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 74.5
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-73783812
Nc1nccc(-c2c[nH]c3ccc(I)cc23)n1
JAXRCOJQAXDWCT-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
335.987194
2.8117
67.59
true
false
false
SPK-0256447
Nc1nccc(n1)-c1c[nH]c2ccc(I)cc12
null
1
SPK-0256447-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9g
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9g
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 74.5
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM001
3941
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM001
Acinetobacter baumannii HM001
SCB-73783812
Nc1nccc(-c2c[nH]c3ccc(I)cc23)n1
JAXRCOJQAXDWCT-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
335.987194
2.8117
67.59
true
false
false
SPK-0256447
Nc1nccc(n1)-c1c[nH]c2ccc(I)cc12
null
1
SPK-0256447-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9g
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9g
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 74.5
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM002
4106
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM002
Acinetobacter baumannii HM002
SCB-73783812
Nc1nccc(-c2c[nH]c3ccc(I)cc23)n1
JAXRCOJQAXDWCT-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
335.987194
2.8117
67.59
true
false
false
SPK-0256447
Nc1nccc(n1)-c1c[nH]c2ccc(I)cc12
null
1
SPK-0256447-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9g
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9g
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 74.5
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-73783812
Nc1nccc(-c2c[nH]c3ccc(I)cc23)n1
JAXRCOJQAXDWCT-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
335.987194
2.8117
67.59
true
false
false
SPK-0256447
Nc1nccc(n1)-c1c[nH]c2ccc(I)cc12
null
1
SPK-0256447-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9g
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9g
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 74.5
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
AB5075
5075
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii AB5075
Acinetobacter baumannii AB5075
SCB-73783812
Nc1nccc(-c2c[nH]c3ccc(I)cc23)n1
JAXRCOJQAXDWCT-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
335.987194
2.8117
67.59
true
false
false
SPK-0256446
Nc1nccc(n1)-c1c[nH]c2cc(I)ccc12
null
1
SPK-0256446-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9f
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9f
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 74.5
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM005
ATCC 17978/pMQ124XLAB1-mcr-1
No
Wild type
ATCC 17978 mcr-1
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM005
Acinetobacter baumannii HM005 ATCC 17978 mcr-1
SCB-67805543
Nc1nccc(-c2c[nH]c3cc(I)ccc23)n1
YTMBUIKYQAVTAV-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
335.987194
2.8117
67.59
true
false
false
SPK-0256446
Nc1nccc(n1)-c1c[nH]c2cc(I)ccc12
null
1
SPK-0256446-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9f
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9f
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 74.5
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-67805543
Nc1nccc(-c2c[nH]c3cc(I)ccc23)n1
YTMBUIKYQAVTAV-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
335.987194
2.8117
67.59
true
false
false
SPK-0256446
Nc1nccc(n1)-c1c[nH]c2cc(I)ccc12
null
1
SPK-0256446-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9f
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9f
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 74.5
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM001
3941
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM001
Acinetobacter baumannii HM001
SCB-67805543
Nc1nccc(-c2c[nH]c3cc(I)ccc23)n1
YTMBUIKYQAVTAV-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
335.987194
2.8117
67.59
true
false
false
SPK-0256446
Nc1nccc(n1)-c1c[nH]c2cc(I)ccc12
null
1
SPK-0256446-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9f
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9f
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 74.5
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM002
4106
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM002
Acinetobacter baumannii HM002
SCB-67805543
Nc1nccc(-c2c[nH]c3cc(I)ccc23)n1
YTMBUIKYQAVTAV-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
335.987194
2.8117
67.59
true
false
false
SPK-0256446
Nc1nccc(n1)-c1c[nH]c2cc(I)ccc12
null
1
SPK-0256446-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9f
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9f
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 74.5
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-67805543
Nc1nccc(-c2c[nH]c3cc(I)ccc23)n1
YTMBUIKYQAVTAV-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
335.987194
2.8117
67.59
true
false
false
SPK-0256446
Nc1nccc(n1)-c1c[nH]c2cc(I)ccc12
null
1
SPK-0256446-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9f
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9f
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 74.5
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
AB5075
5075
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii AB5075
Acinetobacter baumannii AB5075
SCB-67805543
Nc1nccc(-c2c[nH]c3cc(I)ccc23)n1
YTMBUIKYQAVTAV-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
335.987194
2.8117
67.59
true
false
false
SPK-0256445
CNc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256445-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9e
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9e
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 67.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM005
ATCC 17978/pMQ124XLAB1-mcr-1
No
Wild type
ATCC 17978 mcr-1
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM005
Acinetobacter baumannii HM005 ATCC 17978 mcr-1
SCB-58808384
CNc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
ROTTWTIZFSWPDS-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
302.016708
3.4291
53.6
true
false
false
SPK-0256445
CNc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256445-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9e
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9e
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 67.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-58808384
CNc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
ROTTWTIZFSWPDS-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
302.016708
3.4291
53.6
true
false
false
SPK-0256445
CNc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256445-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9e
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9e
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 67.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM001
3941
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM001
Acinetobacter baumannii HM001
SCB-58808384
CNc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
ROTTWTIZFSWPDS-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
302.016708
3.4291
53.6
true
false
false
SPK-0256445
CNc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256445-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9e
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9e
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 67.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM002
4106
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM002
Acinetobacter baumannii HM002
SCB-58808384
CNc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
ROTTWTIZFSWPDS-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
302.016708
3.4291
53.6
true
false
false
SPK-0256445
CNc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256445-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9e
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9e
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 67.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-58808384
CNc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
ROTTWTIZFSWPDS-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
302.016708
3.4291
53.6
true
false
false
SPK-0256445
CNc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256445-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9e
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9e
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 67.9
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
AB5075
5075
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii AB5075
Acinetobacter baumannii AB5075
SCB-58808384
CNc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
ROTTWTIZFSWPDS-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
302.016708
3.4291
53.6
true
false
false
SPK-0256444
CCNc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256444-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9d
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9d
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 70.7
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM005
ATCC 17978/pMQ124XLAB1-mcr-1
No
Wild type
ATCC 17978 mcr-1
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM005
Acinetobacter baumannii HM005 ATCC 17978 mcr-1
SCB-92741154
CCNc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
YOMQDKSSHJSNJH-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
316.032359
3.8192
53.6
true
false
false
SPK-0256444
CCNc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256444-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9d
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9d
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 70.7
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-92741154
CCNc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
YOMQDKSSHJSNJH-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
316.032359
3.8192
53.6
true
false
false
SPK-0256444
CCNc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256444-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9d
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9d
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 70.7
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM001
3941
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM001
Acinetobacter baumannii HM001
SCB-92741154
CCNc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
YOMQDKSSHJSNJH-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
316.032359
3.8192
53.6
true
false
false
SPK-0256444
CCNc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256444-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9d
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9d
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 70.7
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM002
4106
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM002
Acinetobacter baumannii HM002
SCB-92741154
CCNc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
YOMQDKSSHJSNJH-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
316.032359
3.8192
53.6
true
false
false
SPK-0256444
CCNc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256444-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9d
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9d
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 70.7
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-92741154
CCNc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
YOMQDKSSHJSNJH-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
316.032359
3.8192
53.6
true
false
false
SPK-0256444
CCNc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256444-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9d
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9d
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 70.7
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
AB5075
5075
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii AB5075
Acinetobacter baumannii AB5075
SCB-92741154
CCNc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
YOMQDKSSHJSNJH-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
316.032359
3.8192
53.6
true
false
false
SPK-0256443
CN(C)c1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256443-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9c
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9c
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 70.7
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM005
ATCC 17978/pMQ124XLAB1-mcr-1
No
Wild type
ATCC 17978 mcr-1
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM005
Acinetobacter baumannii HM005 ATCC 17978 mcr-1
SCB-50143103
CN(C)c1nccc(-c2c[nH]c3ccc(Br)cc23)n1
IVWDISCTCVQWPI-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
316.032359
3.4534
44.81
true
false
false
SPK-0256443
CN(C)c1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256443-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9c
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9c
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 70.7
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-50143103
CN(C)c1nccc(-c2c[nH]c3ccc(Br)cc23)n1
IVWDISCTCVQWPI-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
316.032359
3.4534
44.81
true
false
false
SPK-0256443
CN(C)c1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256443-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9c
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9c
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 70.7
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM001
3941
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM001
Acinetobacter baumannii HM001
SCB-50143103
CN(C)c1nccc(-c2c[nH]c3ccc(Br)cc23)n1
IVWDISCTCVQWPI-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
316.032359
3.4534
44.81
true
false
false
SPK-0256443
CN(C)c1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256443-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9c
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9c
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 70.7
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM002
4106
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM002
Acinetobacter baumannii HM002
SCB-50143103
CN(C)c1nccc(-c2c[nH]c3ccc(Br)cc23)n1
IVWDISCTCVQWPI-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
316.032359
3.4534
44.81
true
false
false
SPK-0256443
CN(C)c1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256443-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9c
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9c
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 70.7
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-50143103
CN(C)c1nccc(-c2c[nH]c3ccc(Br)cc23)n1
IVWDISCTCVQWPI-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
316.032359
3.4534
44.81
true
false
false
SPK-0256443
CN(C)c1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256443-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9c
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9c
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 70.7
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
AB5075
5075
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii AB5075
Acinetobacter baumannii AB5075
SCB-50143103
CN(C)c1nccc(-c2c[nH]c3ccc(Br)cc23)n1
IVWDISCTCVQWPI-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
316.032359
3.4534
44.81
true
false
false
SPK-0256442
Brc1ccc2[nH]cc(-c3ccnc(NCc4ccccc4)n3)c2c1
null
1
SPK-0256442-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9b
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9b
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 83.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM005
ATCC 17978/pMQ124XLAB1-mcr-1
No
Wild type
ATCC 17978 mcr-1
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM005
Acinetobacter baumannii HM005 ATCC 17978 mcr-1
SCB-43218953
Brc1ccc2[nH]cc(-c3ccnc(NCc4ccccc4)n3)c2c1
UCPUGOCQHNMFBC-UHFFFAOYSA-N
c1ccc(CNc2nccc(-c3c[nH]c4ccccc34)n2)cc1
378.048009
4.9995
53.6
true
false
false
SPK-0256442
Brc1ccc2[nH]cc(-c3ccnc(NCc4ccccc4)n3)c2c1
null
1
SPK-0256442-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9b
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9b
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 83.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-43218953
Brc1ccc2[nH]cc(-c3ccnc(NCc4ccccc4)n3)c2c1
UCPUGOCQHNMFBC-UHFFFAOYSA-N
c1ccc(CNc2nccc(-c3c[nH]c4ccccc34)n2)cc1
378.048009
4.9995
53.6
true
false
false
SPK-0256442
Brc1ccc2[nH]cc(-c3ccnc(NCc4ccccc4)n3)c2c1
null
1
SPK-0256442-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9b
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9b
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 83.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM001
3941
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM001
Acinetobacter baumannii HM001
SCB-43218953
Brc1ccc2[nH]cc(-c3ccnc(NCc4ccccc4)n3)c2c1
UCPUGOCQHNMFBC-UHFFFAOYSA-N
c1ccc(CNc2nccc(-c3c[nH]c4ccccc34)n2)cc1
378.048009
4.9995
53.6
true
false
false
SPK-0256442
Brc1ccc2[nH]cc(-c3ccnc(NCc4ccccc4)n3)c2c1
null
1
SPK-0256442-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9b
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9b
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 83.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM002
4106
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM002
Acinetobacter baumannii HM002
SCB-43218953
Brc1ccc2[nH]cc(-c3ccnc(NCc4ccccc4)n3)c2c1
UCPUGOCQHNMFBC-UHFFFAOYSA-N
c1ccc(CNc2nccc(-c3c[nH]c4ccccc34)n2)cc1
378.048009
4.9995
53.6
true
false
false
SPK-0256442
Brc1ccc2[nH]cc(-c3ccnc(NCc4ccccc4)n3)c2c1
null
1
SPK-0256442-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9b
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9b
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 83.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-43218953
Brc1ccc2[nH]cc(-c3ccnc(NCc4ccccc4)n3)c2c1
UCPUGOCQHNMFBC-UHFFFAOYSA-N
c1ccc(CNc2nccc(-c3c[nH]c4ccccc34)n2)cc1
378.048009
4.9995
53.6
true
false
false
SPK-0256442
Brc1ccc2[nH]cc(-c3ccnc(NCc4ccccc4)n3)c2c1
null
1
SPK-0256442-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9b
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9b
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 83.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
AB5075
5075
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii AB5075
Acinetobacter baumannii AB5075
SCB-43218953
Brc1ccc2[nH]cc(-c3ccnc(NCc4ccccc4)n3)c2c1
UCPUGOCQHNMFBC-UHFFFAOYSA-N
c1ccc(CNc2nccc(-c3c[nH]c4ccccc34)n2)cc1
378.048009
4.9995
53.6
true
false
false
SPK-0256441
Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256441-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9a
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9a
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM005
ATCC 17978/pMQ124XLAB1-mcr-1
No
Wild type
ATCC 17978 mcr-1
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM005
Acinetobacter baumannii HM005 ATCC 17978 mcr-1
SCB-75799585
Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
PKQJCYXKRNGUKQ-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256441
Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256441-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9a
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9a
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-75799585
Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
PKQJCYXKRNGUKQ-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256441
Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256441-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9a
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9a
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM001
3941
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM001
Acinetobacter baumannii HM001
SCB-75799585
Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
PKQJCYXKRNGUKQ-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256441
Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256441-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9a
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9a
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM002
4106
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM002
Acinetobacter baumannii HM002
SCB-75799585
Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
PKQJCYXKRNGUKQ-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256441
Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256441-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9a
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9a
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-75799585
Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
PKQJCYXKRNGUKQ-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256441
Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
null
1
SPK-0256441-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 9a
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
9a
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
AB5075
5075
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii AB5075
Acinetobacter baumannii AB5075
SCB-75799585
Nc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
PKQJCYXKRNGUKQ-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256440
Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12
null
1
SPK-0256440-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 1
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
1
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM005
ATCC 17978/pMQ124XLAB1-mcr-1
No
Wild type
ATCC 17978 mcr-1
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM005
Acinetobacter baumannii HM005 ATCC 17978 mcr-1
SCB-48110087
Nc1nccc(-c2c[nH]c3cc(Br)ccc23)n1
VBPYLWZBNRFLEM-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256440
Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12
null
1
SPK-0256440-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 1
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
1
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 17978
5377; NCDC KC 755
No
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 17978
Acinetobacter baumannii ATCC 17978
SCB-48110087
Nc1nccc(-c2c[nH]c3cc(Br)ccc23)n1
VBPYLWZBNRFLEM-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256440
Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12
null
1
SPK-0256440-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 1
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
1
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM001
3941
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM001
Acinetobacter baumannii HM001
SCB-48110087
Nc1nccc(-c2c[nH]c3cc(Br)ccc23)n1
VBPYLWZBNRFLEM-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256440
Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12
null
1
SPK-0256440-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 1
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
1
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
HM002
4106
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii HM002
Acinetobacter baumannii HM002
SCB-48110087
Nc1nccc(-c2c[nH]c3cc(Br)ccc23)n1
VBPYLWZBNRFLEM-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256440
Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12
null
1
SPK-0256440-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 1
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
1
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-48110087
Nc1nccc(-c2c[nH]c3cc(Br)ccc23)n1
VBPYLWZBNRFLEM-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256440
Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12
null
1
SPK-0256440-001
1.0 Hydrochloride
PMID:30034604 - Cmpd : 1
null
30,034,604
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
1
16/02/2021
Huggins 2018 ACS Med. Chem. Lett. 9:702
Curated Data
> 65.1
MIC
Test article
> 200
gt
200
3.69897
2.69897
Visual
Acinetobacter baumannii
AB5075
5075
Yes
Not characterized
WT
null
CAMHB
Broth microdilution
Supp pg S31-S33; CH
02/01/2020
21/11/2020
JL
Acinetobacter baumannii AB5075
Acinetobacter baumannii AB5075
SCB-48110087
Nc1nccc(-c2c[nH]c3cc(Br)ccc23)n1
VBPYLWZBNRFLEM-UHFFFAOYSA-N
c1ccc2c(-c3ccncn3)c[nH]c2c1
288.001058
2.9696
67.59
true
false
false
SPK-0256439
CCCCC#Cc1ccc(cc1)-c1nc(C)c(s1)C(\C)=N\NC(N)=N
null
1
SPK-0256439-001
No Salt, free base or acid
PMID:28248504 - Cmpd : 3
null
28,248,504
https://dx.doi.org/10.1021/acs.jmedchem.6b01780
3
24/02/2021
Mohammad 2017 J. Med. Chem. 60:2425
Curated Data
8
MIC
Test article
22.6
eq
22.6
4.645892
4.645892
Visual
Acinetobacter baumannii
ATCC 19606
CIP 70.34; DSM 6974; 2208; 81
Yes
Wild type
WT
null
TSB
CLSI
Table 1; JL
21/02/2021
12/11/2020
JL
Acinetobacter baumannii ATCC 19606
Acinetobacter baumannii ATCC 19606
SCB-69349684
CCCCC#Cc1ccc(-c2nc(C)c(/C(C)=N/NC(=N)N)s2)cc1
YORLBUBDEBCYSN-UHFFFAOYSA-N
c1ccc(-c2nccs2)cc1
353.167417
3.86729
87.15
true
false
false
SPK-0256400
CN(CC(O)=O)NC(=O)C[C@@H](N)C[C@H](O)CN
null
1
SPK-0256400-001
No Salt, free base or acid
PMID:26288696 - Cmpd : 4
null
26,288,696
https://dx.doi.org/10.1021/acsmedchemlett.5b00205
4
22/02/2021
McKinney 2015 ACS Med. Chem. Lett. 6:930
Curated Data
128
MIC
Test article
516
eq
516
3.28735
3.28735
Not specified
Acinetobacter baumannii
ARC3495
null
Yes
Not characterized
ADC-ETX9; OXA-40; OXA-109
null
Not specified
null
Table 1; JL
06/02/2021
05/11/2020
JL
Acinetobacter baumannii ARC3495
Acinetobacter baumannii ARC3495 ADC-ETX9; OXA-40; OXA-109
SCB-10794967
CN(CC(=O)O)NC(=O)C[C@@H](N)C[C@H](O)CN
IKHFJPZQZVMLRH-BQBZGAKWSA-N
null
248.148455
-2.5389
141.91
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
0.5
MIC
Test article
0.872
eq
0.872
6.059484
6.059484
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-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
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-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
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-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
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-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
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-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
0.5
MIC
Test article
0.872
eq
0.872
6.059484
6.059484
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-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