GPCRdb

CHEMBL2113380

Agent/drug
Bioactivity

CHEMBL2113380

SMILES	CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(CCCc2ccccc2)C1C5
InChIKey	PPEVMLHWEDYTPY-MZIILFHFSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	2
Rotatable bonds	4
Molecular weight (Da)	476.2

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	7.63	7.63	7.63	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	7.20	7.20	7.20	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	8.31	8.31	8.31	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	8.12	8.12	8.12	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	7.01	7.01	7.01	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	7.67	7.67	7.67	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL2113380

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.