GPCRdb

CHEMBL4113058

Agent/drug
Bioactivity

CHEMBL4113058

SMILES	COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CNCc1ccccc1)C2
InChIKey	PGANIOBIXBHMAK-BUVWRSTLSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	8
Molecular weight (Da)	500.3

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	6.31	6.31	6.31	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	10.40	10.40	10.40	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	8.04	8.04	8.04	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	6.28	6.28	6.28	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	8.07	8.07	8.07	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	7.30	7.30	7.30	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL4113058

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.