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Compound Detail

CHEMBL2206490

SULFURIC DIAMIDE SODIUM SALT
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[NH-]S(N)(=O)=O.[Na+]

Basic Information

ChEMBL ID CHEMBL2206490
Name SULFURIC DIAMIDE SODIUM SALT
Phase Preclinical
Structure Type MOL
InChI Key UAUJMZRWELKEIA-UHFFFAOYSA-N
Parent Compound CHEMBL355001
Active Moiety CHEMBL355001
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
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 H3N2NaO2S
MW 118.09
Aromatic Rings 0
Heavy Atoms 5
NP-Likeness -0.87

Activity Summary

Ki 3 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 5.4 5.4 4000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 4000.0 nM 5.4 Inhibition of Sulfurihydrogenibium azorense alpha-carbonic anhydrase preincubate... 23072866

Literature References

PubMed DOI Target Context # Activities
23072866 10.1016/j.bmcl.2012.09.065 Carbonic anhydrase 2 1
23072866 10.1016/j.bmcl.2012.09.065 Carbonic anhydrase 1 1
23072866 10.1016/j.bmcl.2012.09.065 Unchecked 1

Data from ChEMBL 36 via Core Engine