GPCRdb

CHEMBL4110838

Agent/drug
Bioactivity

CHEMBL4110838

SMILES	COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(NC(C)C(=O)O)c1ccccc1)C2
InChIKey	MKBWEYZOBNUWHB-PHNVCRLRSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	9
Molecular weight (Da)	558.3

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	6.86	6.86	6.86	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

κ	OPRK	Human	Opioid	A	pEC50	5.78	6.09	6.40	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	6.42	6.59	6.76	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4110838

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.