GPCRdb

CHEMBL4587421

Agent/drug
Bioactivity

CHEMBL4587421

SMILES	COc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(OCCN(C)Cc3ccccc3)cc2)cc1
InChIKey	KCWJROIGSAMCNO-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	0
Rotatable bonds	10
Molecular weight (Da)	491.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

CB₁	CNR1	Human	Cannabinoid	A	pKi	6.37	6.37	6.37	ChEMBL
CB₂	CNR2	Human	Cannabinoid	A	pKi	6.16	6.16	6.16	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

CB₁	CNR1	Human	Cannabinoid	A	pIC50	5.82	5.82	5.82	ChEMBL
CB₂	CNR2	Human	Cannabinoid	A	pIC50	5.58	5.58	5.58	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4587421

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV 0

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.