GPCRdb

CHEMBL501451

Agent/drug
Bioactivity

CHEMBL501451

SMILES	Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1
InChIKey	JQERUKPESNWSQA-UIOOFZCWSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	4
Rotatable bonds	7
Molecular weight (Da)	500.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Mouse	Opioid	A	pKd	7.47	7.47	7.47	ChEMBL
δ	OPRD	Rat	Opioid	A	pKi	10.38	10.38	10.38	ChEMBL
δ	OPRD	Human	Opioid	A	pKi	10.38	10.38	10.38	ChEMBL
μ	OPRM	Mouse	Opioid	A	pKd	9.04	9.04	9.04	ChEMBL
μ	OPRM	Rat	Opioid	A	pKi	9.80	9.80	9.80	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	9.80	9.80	9.80	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Mouse	Opioid	A	pIC50	8.52	8.55	8.59	ChEMBL
δ	OPRD	Mouse	Opioid	A	pEC50	8.52	8.52	8.52	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL501451

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.