GPCRdb

CHEMBL2179653

Agent/drug
Bioactivity

CHEMBL2179653

SMILES	CO[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIKey	QKDLBYSWRHMFOW-NVSKSXHLSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	2
Molecular weight (Da)	460.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pKi	8.79	8.79	8.79	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	7.55	7.55	7.55	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	8.10	8.10	8.10	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

κ	OPRK	Human	Opioid	A	pEC50	6.20	6.20	6.20	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	6.42	6.42	6.42	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL2179653

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.