GPCRdb

CHEMBL511645

Agent/drug
Bioactivity

CHEMBL511645

SMILES	NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CC[C@@H](O)C3
InChIKey	NWIALXFYKPFWTR-PVFUSPOPSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	4
Rotatable bonds	3
Molecular weight (Da)	386.2

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	8.41	8.41	8.41	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	9.47	9.47	9.47	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	10.00	10.07	10.14	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	8.43	8.43	8.43	ChEMBL
δ	OPRD	Human	Opioid	A	pIC50	6.89	6.89	6.89	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	8.57	8.57	8.57	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	9.01	9.04	9.07	ChEMBL
μ	OPRM	Human	Opioid	A	pIC50	8.19	8.30	8.42	ChEMBL

Showing 1 to 5 of 5 entries

CHEMBL511645

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.