Compound Detail

CHEMBL73962

BENZOLAMIDE

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NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL73962
Name	BENZOLAMIDE
Phase	Preclinical
Structure Type	MOL
InChI Key	PWDGTQXZLNDOKS-UHFFFAOYSA-N

Targets

151

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

320.4

MW (Da)

-0.01

ALogP

HBA

HBD

132.1

PSA (Å²)

0.81

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C8H8N4O4S3
MW	320.38
Aromatic Rings	2
Heavy Atoms	19
NP-Likeness	-2.14

Activity Summary

Ki 151 meas. best 9.35

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Carbonic anhydrase 7 CHEMBL2326	Ki	9.35	9.35	0.5	1
Carbonic anhydrase, alpha family CHEMBL3621035	Ki	8.57	8.57	2.7	1
Carbonic anhydrase 12 CHEMBL3242	Ki	8.46	8.46	3.5	2
Unchecked CHEMBL612545	Ki	8.38	6.6167	4.2	46
Carbonate dehydratase CHEMBL3745586	Ki	8.09	8.09	8.1	1
Carbonic anhydrase 2 CHEMBL205	Ki	8.05	8.05	9.0	39
AGAP002992-PA CHEMBL3399914	Ki	8.01	8.01	9.8	1
Carbonic anhydrase 4 CHEMBL281	Ki	7.92	7.92	12.0	1
Carbonic anhydrase 1 CHEMBL261	Ki	7.82	7.82	15.0	32
Alpha carbonic anhydrase CHEMBL1075028	Ki	7.69	7.69	20.4	2
Carbonic anhydrase 2 CHEMBL1697676	Ki	7.64	7.64	23.0	2
Astrosclerin-3 CHEMBL1944499	Ki	7.5	7.5	32.0	1
Carbonic anhydrase 14 CHEMBL3510	Ki	7.48	7.48	33.0	1
Carbonic anhydrase 5B, mitochondrial CHEMBL3969	Ki	7.47	7.47	34.0	1
Carbonic anhydrase 5A, mitochondrial CHEMBL4789	Ki	7.43	7.43	37.0	1
Carbonic anhydrase 9 CHEMBL3594	Ki	7.38	7.3425	42.0	4
Carbonic anhydrase 15 CHEMBL5973	Ki	7.16	7.16	70.0	1
Carbonic anhydrase 6 CHEMBL3025	Ki	7.03	7.03	93.0	3
Carbonic anhydrase CHEMBL5931	Ki	6.96	6.96	111.0	1
Carbonic anhydrase CHEMBL1649055	Ki	6.67	6.67	214.0	1
Carbonic anhydrase CHEMBL4211	Ki	6.54	6.52	287.0	2
Delta carbonic anhydrase CHEMBL3097982	Ki	6.41	6.41	394.0	1
Carbonic anhydrase 2 CHEMBL6068	Ki	6.33	6.33	467.0	1
Beta-carbonic anhydrase 1 CHEMBL5631	Ki	6.09	6.09	810.0	1
Carbonic anhydrase CHEMBL6185	Ki	6.02	6.02	952.0	1
Carbonic anhydrase CHEMBL5337	Ki	5.82	5.82	1510.0	2
Carbonic anhydrase 3 CHEMBL2885	Ki	4.84	4.84	14300.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Carbonic anhydrase 7	Ki	=	0.45	nM	9.35	Ki value against human carbonic anhydrase VII	15686895
Carbonic anhydrase, alpha family	Ki	=	2.7	nM	8.57	Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by s...	26691758
Carbonic anhydrase 12	Ki	=	3.5	nM	8.46	Inhibitory constant against catalytic domain of human carbonic anhydrase XII	16039848
Carbonic anhydrase 12	Ki	=	3.5	nM	8.46	Ki value against human carbonic anhydrase XII (hCA XII)	15686894
Unchecked	Ki	=	4.2	nM	8.38	Inhibition of recombinant Vibrio cholerae carbonic anhydrase expressed in Escher...	23181552
Unchecked	Ki	=	4.2	nM	8.38	Inhibition of Vibrio cholerae alpha-carbonic anhydrase using CO2 as substrate pr...	26850377
Unchecked	Ki	=	8.1	nM	8.09	Inhibition of Sulfurihydrogenibium yellowstonense YO3AOP1 recombinant carbonic a...	22883029
Carbonate dehydratase	Ki	=	8.1	nM	8.09	Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic a...	26691758
Carbonic anhydrase 2	Ki	=	9.0	nM	8.05	Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped fl...	22285172
Carbonic anhydrase 2	Ki	=	9.0	nM	8.05	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by...	24314394
Carbonic anhydrase 2	Ki	=	9.0	nM	8.05	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 1...	22424239
Carbonic anhydrase 2	Ki	=	9.0	nM	8.05	Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrati...	23391336
Carbonic anhydrase 2	Ki	=	9.0	nM	8.05	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by...	22883029
Carbonic anhydrase 2	Ki	=	9.0	nM	8.05	Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay	24792813
Carbonic anhydrase 2	Ki	=	9.0	nM	8.05	Inhibition of human recombinant Carbonic anhydrase 2 compound preincubated for 1...	25129169
Carbonic anhydrase 2	Ki	=	9.0	nM	8.05	Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydrati...	25533402
Carbonic anhydrase 2	Ki	=	9.0	nM	8.05	Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase...	25773015
Carbonic anhydrase 2	Ki	=	9.0	nM	8.05	Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped-fl...	25882523
Carbonic anhydrase 2	Ki	=	9.0	nM	8.05	Inhibition of human carbonic anhydrase-2 assessed as reduction in CO2 hydration ...	28511911
Carbonic anhydrase 2	Ki	=	9.0	nM	8.05	Inhibition of human carbonic anhydrase 2 incubated for 15 mins by stopped-flow C...	26920803

Literature References

PubMed	DOI	Target Context	# Activities
26145821	10.1016/j.bmc.2015.06.050	Unchecked	8
10649985	10.1021/jm990479+	ADMET	7
15084132	10.1021/jm031079w	Unchecked	6
26832216	10.1016/j.bmcl.2016.01.023	Unchecked	4
25129169	10.1016/j.bmc.2014.07.048	Unchecked	3
25773015	10.1016/j.bmc.2015.02.045	Unchecked	3
24792813	10.1016/j.bmc.2014.04.006	Unchecked	3
26174556	10.1016/j.bmcl.2015.06.079	Unchecked	3
26525863	10.1016/j.bmcl.2015.10.074	Unchecked	2
17482815	10.1016/j.bmcl.2007.04.063	Unchecked	2
19846301	10.1016/j.bmcl.2009.10.009	Carbonic anhydrase 2	2
24316122	10.1016/j.bmcl.2013.11.030	Unchecked	2
21251841	10.1016/j.bmc.2010.12.048	Unchecked	2
22883029	10.1016/j.bmc.2012.07.024	Unchecked	2
24314394	10.1016/j.bmcl.2013.11.021	Unchecked	2
11123998	10.1021/jm001051+	No relevant target	2
21757360	10.1016/j.bmc.2011.06.038	Unchecked	2
26850377	10.1016/j.bmc.2016.01.037	Unchecked	2
22424239	10.1021/jm300203r	Carbonic anhydrase 2	2
11123998	10.1021/jm001051+	Oryctolagus cuniculus	2

Data from ChEMBL 36 via Core Engine