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Compound Detail

CHEMBL3093008

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COc1cccc2c1O[C@@H](CNS(N)(=O)=O)CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3093008
Phase Preclinical
Structure Type MOL
InChI Key YWDFBMJUZMTVSD-ZETCQYMHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
-0.37
ALogP
5
HBA
2
HBD
99.9
PSA (Ų)
0.78
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 C10H14N2O5S
MW 274.30
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.38

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
24205976 10.1021/jm400894u Mus musculus 2
24205976 10.1021/jm400894u Carbonic anhydrase 2 1

Data from ChEMBL 36 via Core Engine