GPCRdb

CHEMBL4117862

Agent/drug
Bioactivity

CHEMBL4117862

SMILES	Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCC2)c1
InChIKey	KWTDSERCTGJMJW-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	2
Rotatable bonds	8
Molecular weight (Da)	325.2

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	Human	Opioid	A	pKi	5.48	5.48	5.48	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	9.42	9.42	9.42	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	6.64	6.64	6.64	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

κ	OPRK	Human	Opioid	A	pEC50	8.35	8.35	8.35	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL4117862

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.