GPCRdb

CHEMBL3084549

Agent/drug
Bioactivity

CHEMBL3084549

SMILES	CC(=O)N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIKey	VQBNHSQWESCIPZ-VXECKQGCSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	1
Rotatable bonds	5
Molecular weight (Da)	479.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

μ	OPRM	Human	Opioid	A	pKi	6.51	6.51	6.51	ChEMBL
NOP	OPRX	Human	Opioid	A	pKi	8.22	8.22	8.22	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

μ	OPRM	Human	Opioid	A	pEC50	5.71	5.71	5.71	ChEMBL
NOP	OPRX	Human	Opioid	A	pEC50	7.72	7.72	7.72	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL3084549

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.