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Compound Detail

CHEMBL303108

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NS(=O)(=O)c1nn2c(O)cc(=O)nc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL303108
Phase Preclinical
Structure Type MOL
InChI Key KVQWXNFORZEKGU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

248.2
MW (Da)
-1.50
ALogP
8
HBA
2
HBD
127.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H4N4O4S2
MW 248.25
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.87

Activity Summary

IC50 1 meas. best 7.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase
CHEMBL2095180
 IC50 7.43 7.43 37.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase IC50 = 37.0 nM 7.43 Evaluated for its activity against carbonic anhydrase (CA) in anesthetized rabbi... 3669014

Literature References

PubMed DOI Target Context # Activities
3669014 10.1021/jm00394a021 No relevant target 2
3669014 10.1021/jm00394a021 Carbonic anhydrase 1
3669014 10.1021/jm00394a021 ADMET 1

Data from ChEMBL 36 via Core Engine