Compound Detail

CHEMBL2387744

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COc1ccccc1Cc1cc2c(C)ccc(C(C)C)c2oc1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2387744
Phase	Preclinical
Structure Type	MOL
InChI Key	GQLJOWDFHDEIRJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

322.4

MW (Da)

4.82

ALogP

HBA

HBD

39.4

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 5.24

Ki 1 meas. best 6.1

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cannabinoid receptor 2 CHEMBL253	Ki	6.1	6.1	795.0	1
G-protein coupled receptor 55 CHEMBL1075322	IC50	5.24	5.24	5700.0	1
N-arachidonyl glycine receptor CHEMBL2384898	IC50	4.95	4.95	11300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cannabinoid receptor 2	Ki	=	795.0	nM	6.1	Displacement of [3H]-CP55,940 from human CB2 receptor transfected in CHOK1 cells	23679955
G-protein coupled receptor 55	IC50	=	5700.0	nM	5.24	Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibiti...	23679955
N-arachidonyl glycine receptor	IC50	=	11300.0	nM	4.95	Antagonist activity at human GPR18 transfected in CHO cells assessed as delta9-T...	23679955

PubMed	DOI	Target Context	# Activities
23679955	10.1021/jm4005175	G-protein coupled receptor 55	2
23679955	10.1021/jm4005175	Cannabinoid receptor 1	2
23679955	10.1021/jm4005175	Cannabinoid receptor 2	1
23679955	10.1021/jm4005175	N-arachidonyl glycine receptor	1

Data from ChEMBL 36 via Core Engine