GPCRdb

CHEMBL4245818

Agent/drug
Bioactivity

CHEMBL4245818

SMILES	COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@](C)(CO)C2
InChIKey	RKZWIZBLUWIFIU-CLPMPKECSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	5
Molecular weight (Da)	425.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pKi	6.94	6.94	6.94	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	8.57	8.57	8.57	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	7.52	7.52	7.52	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Rat	Opioid	A	pEC50	7.04	7.04	7.04	ChEMBL
μ	OPRM	Rat	Opioid	A	pEC50	7.06	7.06	7.06	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4245818

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.