GPCRdb

CHEMBL4116648

Agent/drug
Bioactivity

CHEMBL4116648

SMILES	Oc1cccc([C@]23CCC[C@H]([C@H]2O)N(CCc2ccc(C(F)(F)F)cc2)CC3)c1
InChIKey	QOHPOLXHOBPUFO-YPAWHYETSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	2
Rotatable bonds	4
Molecular weight (Da)	405.2

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	6.79	6.79	6.79	ChEMBL
κ	OPRK	Rat	Opioid	A	pKi	7.52	7.52	7.52	ChEMBL
μ	OPRM	Rat	Opioid	A	pKi	8.70	8.70	8.70	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Rat	Opioid	A	pEC50	6.04	6.04	6.04	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	6.12	6.12	6.12	ChEMBL
μ	OPRM	Rat	Opioid	A	pEC50	7.72	7.72	7.72	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL4116648

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.