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Compound Detail

CHEMBL4455945

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CC(=O)/C=C/c1ccc(OCc2ccccc2)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4455945
Phase Preclinical
Structure Type MOL
InChI Key SKXLUIYYSZTJLZ-BQYQJAHWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
3.57
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16O3
MW 268.31
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.53

Activity Summary

IC50 1 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.72 4.72 19000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 19000.0 nM 4.72 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