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Compound Detail

CHEMBL62782

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NS(=O)(=O)C1=NN2C(=NC(=O)NS2(=O)=O)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL62782
Phase Preclinical
Structure Type MOL
InChI Key AQCODQBGMBPTLV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
-2.08
ALogP
7
HBA
2
HBD
151.4
PSA (Ų)
0.52
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 C3H3N5O5S3
MW 285.29
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase
CHEMBL2095180
 IC50 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase IC50 = 50.0 nM 7.3 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
3669014 10.1021/jm00394a021 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine