GPCRdb

CHEMBL4112472

Agent/drug
Bioactivity

CHEMBL4112472

SMILES	COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1c(C)noc1C)C2
InChIKey	SUKLBCXGVCYVGS-RRRALXMPSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	0
Rotatable bonds	8
Molecular weight (Da)	520.3

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	6.74	6.74	6.74	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	9.82	9.82	9.82	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	7.03	7.03	7.03	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pEC50	6.64	6.64	6.64	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	7.68	7.68	7.68	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	6.89	6.89	6.89	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL4112472

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.