GPCRdb

CHEMBL3139211

Agent/drug
Bioactivity

CHEMBL3139211

SMILES	C[C@@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](NCC3CC3)C[C@]1(c1cccc(O)c1)C2
InChIKey	IIUGSDSXFCBDCZ-NABNVEFZSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	2
Rotatable bonds	8
Molecular weight (Da)	418.3

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	7.37	7.37	7.37	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	7.86	7.86	7.86	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	8.12	8.12	8.12	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

μ	OPRM	Human	Opioid	A	pEC50	6.89	6.89	6.89	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL3139211

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.