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Compound Detail

CHEMBL3967280

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COc1cc(C(=O)c2ccccc2)cc(O)c1-c1cccc(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3967280
Phase Preclinical
Structure Type MOL
InChI Key XGIFDISIJIJHKW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
4.61
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18O3
MW 318.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.01

Activity Summary

Ki 1 meas. best 6.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL253
 Ki 6.65 6.65 225.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 2 Ki = 224.98 nM 6.65 CB2 Receptor Binding Protocol: 15.3 ug of membranes (20 ul of 1:20 dilution in i... -

Data from ChEMBL 36 via Core Engine