GPCRdb

CHEMBL4107541

Agent/drug
Bioactivity

CHEMBL4107541

SMILES	COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H]([C@](O)(CC(O)CO)c1ccccc1)C2
InChIKey	CNTAUNWPRVDTGK-RQFDAPRJSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	3
Rotatable bonds	9
Molecular weight (Da)	561.3

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	7.89	7.89	7.89	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	7.30	7.30	7.30	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	6.91	6.91	6.91	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	6.71	6.71	6.71	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4107541

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.