GPCRdb

CHEMBL518950

Agent/drug
Bioactivity

CHEMBL518950

SMILES	CN1CCC[C@@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1
InChIKey	POYRSGAKCBVQQE-JOCHJYFZSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	0
Rotatable bonds	3
Molecular weight (Da)	422.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

κ	OPRK	Human	Opioid	A	pKi	7.60	7.60	7.60	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	8.43	8.43	8.43	ChEMBL
NOP	OPRX	Human	Opioid	A	pKi	9.70	9.70	9.70	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pEC50	5.66	5.66	5.66	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	7.16	7.16	7.16	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	7.17	7.17	7.17	ChEMBL
NOP	OPRX	Human	Opioid	A	pEC50	8.85	8.85	8.85	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL518950

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.