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Compound Detail

CHEMBL2261901

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Cc1cc(C(=O)/C=C/c2cccc(O)c2)c(C)o1

Basic Information

ChEMBL ID CHEMBL2261901
Phase Preclinical
Structure Type MOL
InChI Key LYACWKFMGYYNQQ-VOTSOKGWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
3.50
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.66
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 C15H14O3
MW 242.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.06

Activity Summary

IC50 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
IC50 5.1 5.1 7960.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 7960.0 nM 5.1 Anti-inflammatory activity in Mus musculus (mouse) RAW264.7 cells assessed as in... -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-011-9706-1 RAW264.7 1

Data from ChEMBL 36 via Core Engine