GPCRdb

CHEMBL4109652

Agent/drug
Bioactivity

CHEMBL4109652

SMILES	CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(Br)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey	ZQPMWEQJZNJYEY-VTPACTEHSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	0
Rotatable bonds	7
Molecular weight (Da)	549.2

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	9.62	9.62	9.62	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	7.31	7.31	7.31	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pEC50	6.87	6.87	6.87	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	8.02	8.02	8.02	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	6.57	6.57	6.57	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL4109652

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 0

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.