GPCRdb

CHEMBL2208358

Agent/drug
Bioactivity

CHEMBL2208358

SMILES	COc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c1
InChIKey	JWRIEQXHORQLBO-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	1
Rotatable bonds	8
Molecular weight (Da)	508.3

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	8.89	8.89	8.89	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	9.66	9.66	9.66	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	10.74	10.74	10.74	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	8.92	8.92	8.92	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	8.51	8.51	8.51	ChEMBL
μ	OPRM	Human	Opioid	A	pIC50	7.57	7.57	7.57	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	9.66	9.66	9.66	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL2208358

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.