GPCRdb

CHEMBL4094845

Agent/drug
Bioactivity

CHEMBL4094845

SMILES	Oc1ccc2c(c1)C13CCN(CC4CC4)C(C2)C12CCC1C3[C@@H](CN1c1cnccn1)C2
InChIKey	BGPUMDXLINMSER-FTBJKECHSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	3
Molecular weight (Da)	428.3

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	9.45	9.45	9.45	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	9.32	9.32	9.32	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	9.09	9.09	9.09	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	9.37	9.37	9.37	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	9.70	9.70	9.70	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4094845

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 0

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.