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Compound Detail

CHEMBL469318

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O=C(O)c1ccc(S(=O)(=O)O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL469318
Phase Preclinical
Structure Type MOL
InChI Key RHLPAVIBWYPLRV-UHFFFAOYSA-N
0
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

218.2
MW (Da)
0.34
ALogP
4
HBA
3
HBD
111.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H6O6S
MW 218.19
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.15

Activity Summary

IC50 2 meas.
Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
18819808 10.1016/j.bmc.2008.09.028 Carbonic anhydrase 1 2
18819808 10.1016/j.bmc.2008.09.028 Carbonic anhydrase 2 2

Data from ChEMBL 36 via Core Engine