GPCRdb

CHEMBL3354396

Agent/drug
Bioactivity

CHEMBL3354396

SMILES	COC(=O)CCC(=O)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc21
InChIKey	LGVMMZRPBJAHAY-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	9
Hydrogen bond donors	0
Rotatable bonds	6
Molecular weight (Da)	431.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

CB₂	CNR2	Human	Cannabinoid	A	pKi	6.44	6.44	6.44	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

CB₂	CNR2	Human	Cannabinoid	A	pEC50	7.32	7.32	7.32	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL3354396

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.