Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4472578

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(=O)/C=C/c1ccc(C)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4472578
Phase Preclinical
Structure Type MOL
InChI Key UTGVAGYMCQAPHA-GQCTYLIASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

176.2
MW (Da)
2.30
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12O2
MW 176.21
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.97

Activity Summary

IC50 1 meas. best 5.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.23 5.23 5900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 5900.0 nM 5.23 Inhibition of M-CSF/RANKL-induced osteoclast differentiation in C57BL/6 mouse bo... 31257875

Literature References

PubMed DOI Target Context # Activities
31257875 10.1021/acs.jmedchem.9b00270 MC3T3-E1 2
31257875 10.1021/acs.jmedchem.9b00270 Unchecked 1

Data from ChEMBL 36 via Core Engine