GPCRdb

CHEMBL4531563

Agent/drug
Bioactivity

CHEMBL4531563

SMILES	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C/C=C(\F)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
InChIKey	ICJHHSVEWAJXJP-ICXILOJFSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	6
Rotatable bonds	15
Molecular weight (Da)	556.3

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	Human	Opioid	A	pKi	7.59	7.59	7.59	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	7.37	7.37	7.37	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Mouse	Opioid	A	pIC50	7.47	7.47	7.47	ChEMBL
δ	OPRD	Human	Opioid	A	pEC50	6.12	7.21	8.30	ChEMBL
μ	OPRM	Mouse	Opioid	A	pIC50	6.40	6.42	6.44	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	4.49	5.86	7.22	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL4531563

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.