GPCRdb

CHEMBL2208361

Agent/drug
Bioactivity

CHEMBL2208361

SMILES	CC(C)Oc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1
InChIKey	XFOARTFWCZZTDK-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	1
Rotatable bonds	9
Molecular weight (Da)	536.3

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	8.72	8.72	8.72	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	8.80	8.80	8.80	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	9.64	9.64	9.64	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	7.75	7.75	7.75	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	8.27	8.27	8.27	ChEMBL
μ	OPRM	Human	Opioid	A	pIC50	7.89	7.89	7.89	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	8.64	8.64	8.64	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL2208361

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.