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Compound Detail

CHEMBL355001

SULFAMIDE
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Basic Information

ChEMBL ID CHEMBL355001
Name SULFAMIDE
Phase Preclinical
Structure Type MOL
InChI Key NVBFHJWHLNUMCV-UHFFFAOYSA-N
15
Targets
142
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

96.1
MW (Da)
-1.85
ALogP
2
HBA
2
HBD
86.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula H4N2O2S
MW 96.11
Aromatic Rings 0
Heavy Atoms 5
NP-Likeness -0.87

Activity Summary

Ki 142 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha carbonic anhydrase
CHEMBL1075028
 Ki 11.0 11.0 0.0 1
Carbonic anhydrase V
CHEMBL2111457
 Ki 9.08 9.08 0.8 1
Carbonic anhydrase 4
CHEMBL3729
 Ki 6.06 5.68 880.0 5
Unchecked
CHEMBL612545
 Ki 5.4 4.5816 4000.0 43
Carbonic anhydrase
CHEMBL3932
 Ki 5.22 4.5133 5960.0 3
Carbonic anhydrase 7
CHEMBL2326
 Ki 5.17 5.17 6800.0 2
Carbonic anhydrase
CHEMBL3596083
 Ki 5.1 5.1 8000.0 1
Carbonic anhydrase
CHEMBL5931
 Ki 5.06 5.06 8700.0 1
Astrosclerin-3
CHEMBL1944499
 Ki 5.05 5.05 8900.0 1
Carbonic anhydrase 9
CHEMBL3594
 Ki 5.02 4.6867 9600.0 3
Carbonic anhydrase 1
CHEMBL261
 Ki 4.46 4.46 35000.0 2
Carbonic anhydrase 15
CHEMBL5973
 Ki 4.43 4.43 37400.0 2
Carbonic anhydrase 6
CHEMBL3025
 Ki 4.16 4.16 70000.0 1
Carbonic anhydrase 2
CHEMBL205
 Ki 4.09 4.09 82000.0 2
Carbonic anhydrase 5B, mitochondrial
CHEMBL3969
 Ki 4.08 4.08 84000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha carbonic anhydrase Ki = 0.01 nM 11.0 Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydra... 21208801
Carbonic anhydrase V Ki = 0.84 nM 9.08 Inhibitory activity against human carbonic anhydrase V expressed in Escherichia ... 15454240
Carbonic anhydrase 4 Ki = 880.0 nM 6.06 Inhibitory activity against human Carbonic anhydrase IV 15664814
Carbonic anhydrase 4 Ki = 880.0 nM 6.06 Inhibition constant against human carbonic anhydrase isozyme hCA IV 15501038
Carbonic anhydrase 4 Ki = 880.0 nM 6.06 Inhibition of human recombinant carbonic anhydrase 4 by CO2 hydration reaction 19128966
Carbonic anhydrase 4 Ki = 880.0 nM 6.06 Inhibition of full length human carbonic anhydrase 4 preincubated for 15 mins by... 20472429
Unchecked Ki = 4000.0 nM 5.4 Inhibition of Flaveria bidentis beta-carbonic anhydrase-1 preincubated for 15 mi... 23414801
Unchecked Ki = 4250.0 nM 5.37 Inhibition of Streptococcus pneumoniae beta-carbonic anhydrase after 15 mins by ... 21163660
Unchecked Ki = 5700.0 nM 5.24 Inhibition of human recombinant CA8 mutant after 15 mins by stopped-flow CO2 hyd... 23200251
Carbonic anhydrase Ki = 5960.0 nM 5.22 Inhibitory activity against alpha carbonic anhydrase (Co-Cam) from Methanosarcin... 15546717
Unchecked Ki = 6200.0 nM 5.21 Inhibition of Salmonella Typhimurium carbonic anhydrase 2 after 15 mins by stopp... 21570835
Unchecked Ki = 6600.0 nM 5.18 Inhibition of human recombinant CA10 mutant after 15 mins by stopped-flow CO2 hy... 23200251
Carbonic anhydrase 7 Ki = 6800.0 nM 5.17 Inhibition of human recombinant CA7 16621537
Carbonic anhydrase 7 Ki = 6800.0 nM 5.17 Inhibition of full length human carbonic anhydrase 7 preincubated for 15 mins by... 20472429
Unchecked Ki = 8000.0 nM 5.1 Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins ... 27283786
Unchecked Ki = 8000.0 nM 5.1 Inhibition of Vibrio cholerae alpha-carbonic anhydrase preincubated for 15 mins ... 26853167
Unchecked Ki = 8000.0 nM 5.1 Inhibition of Colwellia psychrerythraea gamma carbonic anhydrase expressed in Es... 26778292
Unchecked Ki = 8000.0 nM 5.1 Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins ... 23414807
Carbonic anhydrase Ki = 8000.0 nM 5.1 Inhibition of Pseudomonas aeruginosa PAO1 type-2 beta-carbonic anhydrase psCA3 e... 26068018
Unchecked Ki = 8000.0 nM 5.1 Inhibition of recombinant Plasmodium falciparum eta-carbonic anhydrase preincuba... 25168745

Literature References

PubMed DOI Target Context # Activities
27914949 10.1016/j.bmc.2016.11.021 Unchecked 4
27283786 10.1016/j.bmc.2016.05.029 Unchecked 4
15546717 10.1016/j.bmcl.2004.09.085 Carbonic anhydrase 3
26068018 10.1016/j.bmc.2015.05.029 Pseudomonas aeruginosa 3
26145820 10.1016/j.bmc.2015.06.021 Unchecked 3
23200251 10.1016/j.bmcl.2012.10.103 Unchecked 3
28754318 10.1016/j.bmc.2017.07.033 Unchecked 2
15837324 10.1016/j.bmcl.2005.02.091 Unchecked 2
23790722 10.1016/j.bmc.2013.05.058 Unchecked 2
24461298 10.1016/j.bmcl.2013.12.124 Unchecked 2
18723348 10.1016/j.bmcl.2008.07.122 Carbonic anhydrase 2
23414807 10.1016/j.bmcl.2013.01.084 Unchecked 2
15357993 10.1016/j.bmcl.2004.06.073 Carbonic anhydrase 2
26853167 10.1016/j.bmcl.2016.01.072 Unchecked 2
25168748 10.1016/j.bmcl.2014.08.014 Unchecked 2
21570835 10.1016/j.bmcl.2011.04.105 Unchecked 2
18993072 10.1016/j.bmcl.2008.10.100 Carbonic anhydrase 2
22835873 10.1016/j.bmcl.2012.06.106 Unchecked 2
28238511 10.1016/j.bmc.2017.02.032 Unchecked 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2

Data from ChEMBL 36 via Core Engine