GPCRdb

CHEMBL4282604

Agent/drug
Bioactivity

CHEMBL4282604

SMILES	COc1ccc(C(=O)c2cn(CC3CCOCC3)c3c(O)cccc23)cc1
InChIKey	SXDMYMPKIVFCAN-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	5
Molecular weight (Da)	365.2

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	5.45	5.45	5.45	ChEMBL
CB₂	CNR2	Human	Cannabinoid	A	pKi	7.27	7.27	7.27	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	pEC50	6.20	6.20	6.20	ChEMBL
CB₂	CNR2	Human	Cannabinoid	A	pIC50	6.57	6.57	6.57	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4282604

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

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.