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Compound Detail

CHEMBL232233

SODIUM SULFAMATE
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NS(=O)(=O)[O-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL232233
Name SODIUM SULFAMATE
Phase Preclinical
Structure Type MOL
InChI Key QDWYPRSFEZRKDK-UHFFFAOYSA-M
Parent Compound CHEMBL68253
Active Moiety CHEMBL68253
5
Targets
15
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

97.1
MW (Da)
-1.25
ALogP
2
HBA
2
HBD
80.4
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 H2NNaO3S
MW 119.08
Aromatic Rings 0
Heavy Atoms 5
NP-Likeness -0.40

Activity Summary

Ki 15 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 4
CHEMBL3729
 Ki 6.03 6.03 930.0 1
Unchecked
CHEMBL612545
 Ki 5.3 4.5567 5000.0 3
Astrosclerin-3
CHEMBL1944499
 Ki 4.89 4.89 13000.0 1
Carbonic anhydrase 1
CHEMBL261
 Ki 4.68 4.68 21000.0 4
Carbonic anhydrase 15
CHEMBL5973
 Ki 4.01 4.01 98600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 4 Ki = 930.0 nM 6.03 Inhibition of human recombinant carbonic anhydrase 4 by CO2 hydration reaction 19128966
Unchecked Ki = 5000.0 nM 5.3 Inhibition of Sulfurihydrogenibium azorense alpha-carbonic anhydrase preincubate... 23072866
Astrosclerin-3 Ki = 13000.0 nM 4.89 Inhibition of Astrosclera willeyana recombinant GST-tagged astrosclerin 3 expres... 22227210
Carbonic anhydrase 1 Ki = 21000.0 nM 4.68 Inhibition of human recombinant carbonic anhydrase 1 by CO2 hydration reaction 19128966
Carbonic anhydrase 1 Ki = 21000.0 nM 4.68 Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at p... 21377369
Carbonic anhydrase 1 Ki = 21000.0 nM 4.68 Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins by s... 23072866
Carbonic anhydrase 1 Ki = 21000.0 nM 4.68 Inhibition of human CA1 incubated for 15 mins prior to testing by stopped flow C... 26525863
Unchecked Ki = 55000.0 nM 4.26 Inhibition of Leptonychotes weddellii alpha-carbonic anhydrase after 15 mins by ... 21377369
Unchecked Ki = 77000.0 nM 4.11 Inhibition of Chionodraco hamatus alphaCA incubated for 15 mins prior to testing... 26525863
Carbonic anhydrase 15 Ki = 98600.0 nM 4.01 Inhibition of mouse recombinant carbonic anhydrase 15 expressed in COS7 cells by... 19128966

Literature References

PubMed DOI Target Context # Activities
18723348 10.1016/j.bmcl.2008.07.122 Carbonic anhydrase 2
19128966 10.1016/j.bmcl.2008.12.082 Carbonic anhydrase 2 1
26525863 10.1016/j.bmcl.2015.10.074 Unchecked 1
23072866 10.1016/j.bmcl.2012.09.065 Carbonic anhydrase 1 1
23072866 10.1016/j.bmcl.2012.09.065 Carbonic anhydrase 2 1
22227210 10.1016/j.bmcl.2011.12.085 Astrosclerin-3 1
21377369 10.1016/j.bmc.2011.02.015 Carbonic anhydrase 2 1
21377369 10.1016/j.bmc.2011.02.015 Unchecked 1
21377369 10.1016/j.bmc.2011.02.015 Carbonic anhydrase 1 1
19574046 10.1016/j.bmcl.2009.06.048 Carbonic anhydrase 1
19128966 10.1016/j.bmcl.2008.12.082 Carbonic anhydrase 15 1
19128966 10.1016/j.bmcl.2008.12.082 Carbonic anhydrase 4 1
17346964 10.1016/j.bmcl.2007.02.068 Carbonic anhydrase 1 1
19128966 10.1016/j.bmcl.2008.12.082 Carbonic anhydrase 1 1
18723348 10.1016/j.bmcl.2008.07.122 Unchecked 1
18723348 10.1016/j.bmcl.2008.07.122 Carbonic anhydrase 1 1
18723348 10.1016/j.bmcl.2008.07.122 Carbonic anhydrase 2 1
17127063 10.1016/j.bmcl.2006.11.028 Carbonic anhydrase 6 1
17346964 10.1016/j.bmcl.2007.02.068 Carbonic anhydrase 12 1
17346964 10.1016/j.bmcl.2007.02.068 Carbonic anhydrase 9 1

Data from ChEMBL 36 via Core Engine