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

CHEMBL506746

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
Cc1cc2c(C(C)C)ccc(C)c2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL506746
Phase Preclinical
Structure Type MOL
InChI Key FWQVSIMNEDPTRV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

216.3
MW (Da)
3.53
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16O2
MW 216.28
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.37

Activity Summary

IC50 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 55
CHEMBL1075322
 IC50 5.46 5.46 3450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G-protein coupled receptor 55 IC50 = 3450.0 nM 5.46 Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibiti... 23679955

Literature References

PubMed DOI Target Context # Activities
19278853 10.1016/j.bmc.2009.02.027 Cannabinoid receptor 2 2
19278853 10.1016/j.bmc.2009.02.027 Cannabinoid receptor 1 2
23679955 10.1021/jm4005175 G-protein coupled receptor 55 2
23679955 10.1021/jm4005175 Cannabinoid receptor 2 2
23679955 10.1021/jm4005175 Cannabinoid receptor 1 2
23679955 10.1021/jm4005175 N-arachidonyl glycine receptor 2

Data from ChEMBL 36 via Core Engine