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Compound Detail

CHEMBL2262156

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COc1cccc(OC)c1/C=C/C(=O)c1ccc(C)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2262156
Phase Preclinical
Structure Type MOL
InChI Key FYZNQVIZNJGNNL-CMDGGOBGSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
3.50
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16O4
MW 272.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.46

Activity Summary

IC50 2 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 5.19 5.19 6450.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 6450.0 nM 5.19 Anti-inflammatory activity in Mus musculus (mouse) RAW264.7 cells assessed as in... -
RAW264.7 IC50 = 6456.54 nM 5.19 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 2

Data from ChEMBL 36 via Core Engine