GPCRdb

CHEMBL3930729

Agent/drug
Bioactivity

CHEMBL3930729

SMILES	CCOC(=O)CC[C@H]1[C@H](COCc2ccccc2)[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5
InChIKey	USFPJCSJMBKHLN-JLWDJLIZSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	0
Rotatable bonds	12
Molecular weight (Da)	601.3

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	8.59	8.59	8.59	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	7.61	7.61	7.61	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

κ	OPRK	Human	Opioid	A	pEC50	6.89	6.89	6.89	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	6.73	6.73	6.73	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL3930729

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.