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Compound Detail

CHEMBL357535

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NS(=O)(=O)OCc1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL357535
Phase Preclinical
Structure Type MOL
InChI Key JSGQIOKOWMFNES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
2.07
ALogP
3
HBA
1
HBD
69.4
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13NO3S
MW 263.32
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
14640555 10.1021/jm030911u Carbonic anhydrase 1 1
14640555 10.1021/jm030911u Carbonic anhydrase 2 1
14640555 10.1021/jm030911u Carbonic anhydrase 9 1

Data from ChEMBL 36 via Core Engine