spark_compound_id
stringlengths 11
11
| spark_SMILES
stringlengths 13
285
| spark_synonyms
stringclasses 44
values | spark_batch_name
int64 1
49
| spark_compound_batch_id
stringlengths 15
15
| compound_salt
stringclasses 19
values | source_compound_name
stringclasses 187
values | pubchem_id
float64 | pubmed_id
float64 21.3M
30M
⌀ | doi
stringclasses 12
values | source_compound_id
stringclasses 154
values | publication_date
stringdate 2018-09-28 00:00:00
2021-03-03 00:00:00
| publication_reference
stringclasses 16
values | spark_mic_project_name
stringclasses 1
value | mic_micrograms_per_ml
stringlengths 1
10
| mic_reported_as
stringclasses 4
values | test_article_type
stringclasses 2
values | mic_micromolar
stringlengths 1
9
| mic_ineq_operator
stringclasses 3
values | plain_mic_micromolar
float64 0
576
| plain_pmic
float64 3.24
9.06
| pmic
float64 2.24
10.1
| growth_inhibition_threshold
stringclasses 3
values | species
stringclasses 1
value | strain_name
stringclasses 5
values | strain_name_other
stringclasses 5
values | is_clinical_isolate
stringclasses 2
values | accumulation_phenotype
stringclasses 1
value | strain_genotype
stringclasses 2
values | solvent
stringclasses 3
values | media
stringclasses 7
values | mic_method
stringclasses 4
values | curator_notes
stringclasses 11
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
2020-11-24 00:00:00
⌀ | spark_extractor
stringclasses 3
values | full_strain_name
stringclasses 5
values | full_strain_name_with_genotype
stringclasses 5
values | id
stringlengths 12
12
| smiles
stringlengths 11
275
| inchikey
stringlengths 27
27
| scaffold
stringlengths 5
143
⌀ | mwt
float64 123
1.7k
| clogp
float64 -6.74
7.49
| tpsa
float64 3.24
697
| is_train
bool 1
class | is_test
bool 1
class | is_validation
bool 1
class |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SPK-0256471
|
Nc1nc(c[nH]1)-c1c[nH]c2cc(Br)ccc12
| null | 1
|
SPK-0256471-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 17b
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
17b
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
15.7
|
MIC
|
Test article
|
50.1
|
eq
| 50.1
| 4.300162
| 4.300162
|
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-78301046
|
Nc1nc(-c2c[nH]c3cc(Br)ccc23)c[nH]1
|
NYRXIOAGWHQLON-UHFFFAOYSA-N
|
c1ccc2c(-c3c[nH]cn3)c[nH]c2c1
| 276.001058
| 2.9027
| 70.49
| true
| false
| false
|
SPK-0256471
|
Nc1nc(c[nH]1)-c1c[nH]c2cc(Br)ccc12
| null | 1
|
SPK-0256471-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 17b
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
17b
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
31.4
|
MIC
|
Test article
|
100
|
eq
| 100
| 4
| 4
|
Visual
|
Acinetobacter baumannii
|
ATCC 17978
|
5377; NCDC KC 755
|
No
|
Wild type
| null | 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-78301046
|
Nc1nc(-c2c[nH]c3cc(Br)ccc23)c[nH]1
|
NYRXIOAGWHQLON-UHFFFAOYSA-N
|
c1ccc2c(-c3c[nH]cn3)c[nH]c2c1
| 276.001058
| 2.9027
| 70.49
| true
| false
| false
|
SPK-0256471
|
Nc1nc(c[nH]1)-c1c[nH]c2cc(Br)ccc12
| null | 1
|
SPK-0256471-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 17b
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
17b
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
31.4
|
MIC
|
Test article
|
100
|
eq
| 100
| 4
| 4
|
Visual
|
Acinetobacter baumannii
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-78301046
|
Nc1nc(-c2c[nH]c3cc(Br)ccc23)c[nH]1
|
NYRXIOAGWHQLON-UHFFFAOYSA-N
|
c1ccc2c(-c3c[nH]cn3)c[nH]c2c1
| 276.001058
| 2.9027
| 70.49
| true
| false
| false
|
SPK-0256470
|
Nc1nc(c[nH]1)-c1c[nH]c2ccc(Br)cc12
| null | 1
|
SPK-0256470-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 17a
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
17a
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
15.7
|
MIC
|
Test article
|
50.1
|
eq
| 50.1
| 4.300162
| 4.300162
|
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-11037179
|
Nc1nc(-c2c[nH]c3ccc(Br)cc23)c[nH]1
|
GJMWPARNOJWCOO-UHFFFAOYSA-N
|
c1ccc2c(-c3c[nH]cn3)c[nH]c2c1
| 276.001058
| 2.9027
| 70.49
| true
| false
| false
|
SPK-0256470
|
Nc1nc(c[nH]1)-c1c[nH]c2ccc(Br)cc12
| null | 1
|
SPK-0256470-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 17a
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
17a
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
31.4
|
MIC
|
Test article
|
100
|
eq
| 100
| 4
| 4
|
Visual
|
Acinetobacter baumannii
|
ATCC 17978
|
5377; NCDC KC 755
|
No
|
Wild type
| null | 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-11037179
|
Nc1nc(-c2c[nH]c3ccc(Br)cc23)c[nH]1
|
GJMWPARNOJWCOO-UHFFFAOYSA-N
|
c1ccc2c(-c3c[nH]cn3)c[nH]c2c1
| 276.001058
| 2.9027
| 70.49
| true
| false
| false
|
SPK-0256470
|
Nc1nc(c[nH]1)-c1c[nH]c2ccc(Br)cc12
| null | 1
|
SPK-0256470-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 17a
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
17a
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
31.4
|
MIC
|
Test article
|
100
|
eq
| 100
| 4
| 4
|
Visual
|
Acinetobacter baumannii
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-11037179
|
Nc1nc(-c2c[nH]c3ccc(Br)cc23)c[nH]1
|
GJMWPARNOJWCOO-UHFFFAOYSA-N
|
c1ccc2c(-c3c[nH]cn3)c[nH]c2c1
| 276.001058
| 2.9027
| 70.49
| true
| false
| false
|
SPK-0256469
|
CCNc1nccc(n1)-c1cn(C)c2cc(Br)ccc12
| null | 1
|
SPK-0256469-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13n
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13n
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 73.5
|
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-13352117
|
CCNc1nccc(-c2cn(C)c3cc(Br)ccc23)n1
|
LKRAWTLIJHABJT-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 330.048009
| 3.8296
| 42.74
| true
| false
| false
|
SPK-0256469
|
CCNc1nccc(n1)-c1cn(C)c2cc(Br)ccc12
| null | 1
|
SPK-0256469-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13n
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13n
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 73.5
|
MIC
|
Test article
|
> 200
|
gt
| 200
| 3.69897
| 2.69897
|
Visual
|
Acinetobacter baumannii
|
ATCC 17978
|
5377; NCDC KC 755
|
No
|
Wild type
| null | 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-13352117
|
CCNc1nccc(-c2cn(C)c3cc(Br)ccc23)n1
|
LKRAWTLIJHABJT-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 330.048009
| 3.8296
| 42.74
| true
| false
| false
|
SPK-0256469
|
CCNc1nccc(n1)-c1cn(C)c2cc(Br)ccc12
| null | 1
|
SPK-0256469-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13n
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13n
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 73.5
|
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
| null | 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-13352117
|
CCNc1nccc(-c2cn(C)c3cc(Br)ccc23)n1
|
LKRAWTLIJHABJT-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 330.048009
| 3.8296
| 42.74
| true
| false
| false
|
SPK-0256468
|
CCCn1cc(-c2ccnc(N)n2)c2ccc(I)cc12
| null | 1
|
SPK-0256468-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13m
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13m
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 82.9
|
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-11413831
|
CCCn1cc(-c2ccnc(N)n2)c2ccc(I)cc21
|
DEZIATXBBQCMAR-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 378.034144
| 3.6951
| 56.73
| true
| false
| false
|
SPK-0256468
|
CCCn1cc(-c2ccnc(N)n2)c2ccc(I)cc12
| null | 1
|
SPK-0256468-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13m
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13m
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 82.9
|
MIC
|
Test article
|
> 200
|
gt
| 200
| 3.69897
| 2.69897
|
Visual
|
Acinetobacter baumannii
|
ATCC 17978
|
5377; NCDC KC 755
|
No
|
Wild type
| null | 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-11413831
|
CCCn1cc(-c2ccnc(N)n2)c2ccc(I)cc21
|
DEZIATXBBQCMAR-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 378.034144
| 3.6951
| 56.73
| true
| false
| false
|
SPK-0256468
|
CCCn1cc(-c2ccnc(N)n2)c2ccc(I)cc12
| null | 1
|
SPK-0256468-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13m
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13m
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 82.9
|
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
| null | 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-11413831
|
CCCn1cc(-c2ccnc(N)n2)c2ccc(I)cc21
|
DEZIATXBBQCMAR-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 378.034144
| 3.6951
| 56.73
| true
| false
| false
|
SPK-0256467
|
CC(C)Cn1cc(-c2ccnc(N)n2)c2ccc(Br)cc12
| null | 1
|
SPK-0256467-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13l
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13l
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 76.3
|
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-10656071
|
CC(C)Cn1cc(-c2ccnc(N)n2)c2ccc(Br)cc21
|
WDBUNLSNACSTOT-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 344.063659
| 4.099
| 56.73
| true
| false
| false
|
SPK-0256467
|
CC(C)Cn1cc(-c2ccnc(N)n2)c2ccc(Br)cc12
| null | 1
|
SPK-0256467-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13l
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13l
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 76.3
|
MIC
|
Test article
|
> 200
|
gt
| 200
| 3.69897
| 2.69897
|
Visual
|
Acinetobacter baumannii
|
ATCC 17978
|
5377; NCDC KC 755
|
No
|
Wild type
| null | 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-10656071
|
CC(C)Cn1cc(-c2ccnc(N)n2)c2ccc(Br)cc21
|
WDBUNLSNACSTOT-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 344.063659
| 4.099
| 56.73
| true
| false
| false
|
SPK-0256467
|
CC(C)Cn1cc(-c2ccnc(N)n2)c2ccc(Br)cc12
| null | 1
|
SPK-0256467-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13l
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13l
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 76.3
|
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
| null | 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-10656071
|
CC(C)Cn1cc(-c2ccnc(N)n2)c2ccc(Br)cc21
|
WDBUNLSNACSTOT-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 344.063659
| 4.099
| 56.73
| true
| false
| false
|
SPK-0256466
|
CC(C)Cn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256466-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13k
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13k
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 76.3
|
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-48987372
|
CC(C)Cn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
SJHFBLRAGIDPCV-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 344.063659
| 4.099
| 56.73
| true
| false
| false
|
SPK-0256466
|
CC(C)Cn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256466-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13k
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13k
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 76.3
|
MIC
|
Test article
|
> 200
|
gt
| 200
| 3.69897
| 2.69897
|
Visual
|
Acinetobacter baumannii
|
ATCC 17978
|
5377; NCDC KC 755
|
No
|
Wild type
| null | 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-48987372
|
CC(C)Cn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
SJHFBLRAGIDPCV-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 344.063659
| 4.099
| 56.73
| true
| false
| false
|
SPK-0256466
|
CC(C)Cn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256466-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13k
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13k
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 76.3
|
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
| null | 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-48987372
|
CC(C)Cn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
SJHFBLRAGIDPCV-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 344.063659
| 4.099
| 56.73
| true
| false
| false
|
SPK-0256465
|
CCCCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc12
| null | 1
|
SPK-0256465-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13j
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13j
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 76.3
|
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-76165988
|
CCCCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc21
|
KJRSGQAYEDRPJA-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 344.063659
| 4.2431
| 56.73
| true
| false
| false
|
SPK-0256465
|
CCCCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc12
| null | 1
|
SPK-0256465-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13j
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13j
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 76.3
|
MIC
|
Test article
|
> 200
|
gt
| 200
| 3.69897
| 2.69897
|
Visual
|
Acinetobacter baumannii
|
ATCC 17978
|
5377; NCDC KC 755
|
No
|
Wild type
| null | 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-76165988
|
CCCCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc21
|
KJRSGQAYEDRPJA-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 344.063659
| 4.2431
| 56.73
| true
| false
| false
|
SPK-0256465
|
CCCCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc12
| null | 1
|
SPK-0256465-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13j
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13j
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 76.3
|
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
| null | 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-76165988
|
CCCCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc21
|
KJRSGQAYEDRPJA-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 344.063659
| 4.2431
| 56.73
| true
| false
| false
|
SPK-0256464
|
Nc1nccc(n1)-c1cn(Cc2ccccc2)c2ccc(Br)cc12
| null | 1
|
SPK-0256464-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13i
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13i
|
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-25354149
|
Nc1nccc(-c2cn(Cc3ccccc3)c3ccc(Br)cc23)n1
|
XUSZCDVUQFNGFD-UHFFFAOYSA-N
|
c1ccc(Cn2cc(-c3ccncn3)c3ccccc32)cc1
| 378.048009
| 4.4913
| 56.73
| true
| false
| false
|
SPK-0256464
|
Nc1nccc(n1)-c1cn(Cc2ccccc2)c2ccc(Br)cc12
| null | 1
|
SPK-0256464-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13i
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13i
|
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
| null | 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-25354149
|
Nc1nccc(-c2cn(Cc3ccccc3)c3ccc(Br)cc23)n1
|
XUSZCDVUQFNGFD-UHFFFAOYSA-N
|
c1ccc(Cn2cc(-c3ccncn3)c3ccccc32)cc1
| 378.048009
| 4.4913
| 56.73
| true
| false
| false
|
SPK-0256464
|
Nc1nccc(n1)-c1cn(Cc2ccccc2)c2ccc(Br)cc12
| null | 1
|
SPK-0256464-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13i
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13i
|
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
| null | 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-25354149
|
Nc1nccc(-c2cn(Cc3ccccc3)c3ccc(Br)cc23)n1
|
XUSZCDVUQFNGFD-UHFFFAOYSA-N
|
c1ccc(Cn2cc(-c3ccncn3)c3ccccc32)cc1
| 378.048009
| 4.4913
| 56.73
| true
| false
| false
|
SPK-0256463
|
CCCCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256463-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13h
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13h
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 79.1
|
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-66899781
|
CCCCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
VJHUBZRRVIBQMF-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 358.079309
| 4.6332
| 56.73
| true
| false
| false
|
SPK-0256463
|
CCCCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256463-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13h
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13h
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 79.1
|
MIC
|
Test article
|
> 200
|
gt
| 200
| 3.69897
| 2.69897
|
Visual
|
Acinetobacter baumannii
|
ATCC 17978
|
5377; NCDC KC 755
|
No
|
Wild type
| null | 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-66899781
|
CCCCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
VJHUBZRRVIBQMF-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 358.079309
| 4.6332
| 56.73
| true
| false
| false
|
SPK-0256463
|
CCCCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256463-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13h
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13h
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 79.1
|
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
| null | 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-66899781
|
CCCCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
VJHUBZRRVIBQMF-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 358.079309
| 4.6332
| 56.73
| true
| false
| false
|
SPK-0256462
|
Cn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256462-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13g
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13g
|
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-50610582
|
Cn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
CAJUWAMDXKCIJF-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 302.016708
| 2.98
| 56.73
| true
| false
| false
|
SPK-0256462
|
Cn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256462-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13g
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13g
|
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
| null | 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-50610582
|
Cn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
CAJUWAMDXKCIJF-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 302.016708
| 2.98
| 56.73
| true
| false
| false
|
SPK-0256462
|
Cn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256462-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13g
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13g
|
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
| null | 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-50610582
|
Cn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
CAJUWAMDXKCIJF-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 302.016708
| 2.98
| 56.73
| true
| false
| false
|
SPK-0256461
|
CCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256461-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13f
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13f
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 73.5
|
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-44611966
|
CCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
KJMHEHMLYXPUPQ-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 330.048009
| 3.853
| 56.73
| true
| false
| false
|
SPK-0256461
|
CCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256461-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13f
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13f
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 73.5
|
MIC
|
Test article
|
> 200
|
gt
| 200
| 3.69897
| 2.69897
|
Visual
|
Acinetobacter baumannii
|
ATCC 17978
|
5377; NCDC KC 755
|
No
|
Wild type
| null | 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-44611966
|
CCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
KJMHEHMLYXPUPQ-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 330.048009
| 3.853
| 56.73
| true
| false
| false
|
SPK-0256461
|
CCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256461-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13f
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13f
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 73.5
|
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
| null | 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-44611966
|
CCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
KJMHEHMLYXPUPQ-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 330.048009
| 3.853
| 56.73
| true
| false
| false
|
SPK-0256460
|
CCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256460-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13e
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13e
|
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-48049434
|
CCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
CVIBKCPWEZQDGD-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 316.032359
| 3.4629
| 56.73
| true
| false
| false
|
SPK-0256460
|
CCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256460-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13e
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13e
|
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
| null | 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-48049434
|
CCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
CVIBKCPWEZQDGD-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 316.032359
| 3.4629
| 56.73
| true
| false
| false
|
SPK-0256460
|
CCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256460-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13e
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13e
|
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
| null | 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-48049434
|
CCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
CVIBKCPWEZQDGD-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 316.032359
| 3.4629
| 56.73
| true
| false
| false
|
SPK-0256459
|
CCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc12
| null | 1
|
SPK-0256459-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13d
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13d
|
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-33653918
|
CCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc21
|
FHRAHCGDKHKYLQ-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 316.032359
| 3.4629
| 56.73
| true
| false
| false
|
SPK-0256459
|
CCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc12
| null | 1
|
SPK-0256459-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13d
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13d
|
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
| null | 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-33653918
|
CCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc21
|
FHRAHCGDKHKYLQ-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 316.032359
| 3.4629
| 56.73
| true
| false
| false
|
SPK-0256459
|
CCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc12
| null | 1
|
SPK-0256459-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13d
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13d
|
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
| null | 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-33653918
|
CCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc21
|
FHRAHCGDKHKYLQ-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 316.032359
| 3.4629
| 56.73
| true
| false
| false
|
SPK-0256458
|
Cn1cc(-c2ccnc(N)n2)c2ccc(Br)cc12
| null | 1
|
SPK-0256458-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13c
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13c
|
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-43602015
|
Cn1cc(-c2ccnc(N)n2)c2ccc(Br)cc21
|
KJHPMGXXJIGQNU-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 302.016708
| 2.98
| 56.73
| true
| false
| false
|
SPK-0256458
|
Cn1cc(-c2ccnc(N)n2)c2ccc(Br)cc12
| null | 1
|
SPK-0256458-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13c
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13c
|
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
| null | 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-43602015
|
Cn1cc(-c2ccnc(N)n2)c2ccc(Br)cc21
|
KJHPMGXXJIGQNU-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 302.016708
| 2.98
| 56.73
| true
| false
| false
|
SPK-0256458
|
Cn1cc(-c2ccnc(N)n2)c2ccc(Br)cc12
| null | 1
|
SPK-0256458-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13c
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13c
|
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
| null | 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-43602015
|
Cn1cc(-c2ccnc(N)n2)c2ccc(Br)cc21
|
KJHPMGXXJIGQNU-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 302.016708
| 2.98
| 56.73
| true
| false
| false
|
SPK-0256457
|
CCCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256457-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13b
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13b
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 76.3
|
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-26568206
|
CCCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
UOARLQDNFPVDME-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 344.063659
| 4.2431
| 56.73
| true
| false
| false
|
SPK-0256457
|
CCCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256457-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13b
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13b
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 76.3
|
MIC
|
Test article
|
> 200
|
gt
| 200
| 3.69897
| 2.69897
|
Visual
|
Acinetobacter baumannii
|
ATCC 17978
|
5377; NCDC KC 755
|
No
|
Wild type
| null | 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-26568206
|
CCCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
UOARLQDNFPVDME-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 344.063659
| 4.2431
| 56.73
| true
| false
| false
|
SPK-0256457
|
CCCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc12
| null | 1
|
SPK-0256457-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13b
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13b
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 76.3
|
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
| null | 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-26568206
|
CCCCn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21
|
UOARLQDNFPVDME-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 344.063659
| 4.2431
| 56.73
| true
| false
| false
|
SPK-0256456
|
CCCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc12
| null | 1
|
SPK-0256456-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13a
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13a
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 73.5
|
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-65720473
|
CCCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc21
|
XHUJKLYZVHHOTJ-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 330.048009
| 3.853
| 56.73
| true
| false
| false
|
SPK-0256456
|
CCCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc12
| null | 1
|
SPK-0256456-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13a
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13a
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
36.8
|
MIC
|
Test article
|
100
|
eq
| 100
| 4
| 4
|
Visual
|
Acinetobacter baumannii
|
ATCC 17978
|
5377; NCDC KC 755
|
No
|
Wild type
| null | 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-65720473
|
CCCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc21
|
XHUJKLYZVHHOTJ-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 330.048009
| 3.853
| 56.73
| true
| false
| false
|
SPK-0256456
|
CCCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc12
| null | 1
|
SPK-0256456-001
|
1.0 Hydrochloride
|
PMID:30034604 - Cmpd : 13a
| null | 30,034,604
|
https://dx.doi.org/10.1021/acsmedchemlett.8b00161
|
13a
|
16/02/2021
|
Huggins 2018 ACS Med. Chem. Lett. 9:702
|
Curated Data
|
> 73.5
|
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
| null | 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-65720473
|
CCCn1cc(-c2ccnc(N)n2)c2ccc(Br)cc21
|
XHUJKLYZVHHOTJ-UHFFFAOYSA-N
|
c1ccc2c(-c3ccncn3)c[nH]c2c1
| 330.048009
| 3.853
| 56.73
| 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
|
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-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
|
ATCC 17978
|
5377; NCDC KC 755
|
No
|
Wild type
| null | 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-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
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-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
| null | 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
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-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
| null | 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
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-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
| null | 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
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-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
| null | 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
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-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
| null | 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
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-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
| null | 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
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-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
| null | 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
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-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
| null | 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
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-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
| null | 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
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-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
| null | 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
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-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
| null | 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
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-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
| null | 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
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-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
| null | 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
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-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
| null | 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
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-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
| null | 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
|
ATCC 19606
|
CIP 70.34; DSM 6974; 2208; 81
|
Yes
|
Wild type
| null | 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-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
| null | 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-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
| null |
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
| null |
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-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
| null |
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
|
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