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Compound Detail

CHEMBL610488

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CSc1ccc(C2=C(c3ccc(F)cc3)C(=O)NC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL610488
Phase Preclinical
Structure Type MOL
InChI Key SCJWVUPXBMQFER-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
3.11
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.70
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 C17H12FNO2S
MW 313.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.78

Activity Summary

IC50 2 meas. best 4.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 4.59 4.59 25500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 25500.0 nM 4.59 Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... 20004572

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