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Compound Detail

CHEMBL595384

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CS(=O)(=O)c1ccc(C2=C(c3ccc(O)cc3)C(=O)NC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL595384
Phase Preclinical
Structure Type MOL
InChI Key FTNIFLKYJDYIGA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
1.36
ALogP
5
HBA
2
HBD
100.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13NO5S
MW 343.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.27

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20004572 10.1016/j.bmcl.2009.11.067 RAW264.7 2

Data from ChEMBL 36 via Core Engine