GPCRdb

CHEMBL4111717

Agent/drug
Bioactivity

CHEMBL4111717

SMILES	COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(NC(N)=O)c1)C2
InChIKey	CJKKHQGXSYJVPL-ASCUWTISSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	9
Molecular weight (Da)	559.3

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	7.20	7.20	7.20	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	8.86	8.86	8.86	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	7.53	7.53	7.53	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pEC50	7.66	7.66	7.66	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	7.27	7.27	7.27	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4111717

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.