GPCRdb

CHEMBL3545629

Agent/drug
Bioactivity

CHEMBL3545629

SMILES	CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)NCCc1c3ccccc3[nH]c12
InChIKey	FPSHFESBMNTMNM-RQNOJGIXSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	2
Rotatable bonds	2
Molecular weight (Da)	359.2

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

μ	OPRM	Human	Opioid	A	pKi	9.41	9.41	9.41	ChEMBL
NOP	OPRX	Human	Opioid	A	pKi	9.72	9.72	9.72	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	9.70	9.70	9.70	ChEMBL
NOP	OPRX	Human	Opioid	A	pEC50	8.89	8.89	8.89	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL3545629

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.