GPCRdb

CHEMBL4594956

Agent/drug
Bioactivity

CHEMBL4594956

SMILES	CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4c(c3)OCCO4)ccc21
InChIKey	WRQBKHSGYGWXFS-RRPNLBNLSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	3
Rotatable bonds	6
Molecular weight (Da)	529.3

Database connections

ChEMBL_compound_ids ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Rat	Opioid	A	pKi	9.08	9.08	9.08	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	6.85	6.85	6.85	ChEMBL
μ	OPRM	Rat	Opioid	A	pKi	9.42	9.42	9.42	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

μ	OPRM	Rat	Opioid	A	pEC50	7.89	7.89	7.89	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL4594956

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 ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.