CHEMBL4453368


SMILES CCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
InChIKey JFGYOUFIVHGSCX-VWLOTQADSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 432.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pKi 8.55 8.55 8.55 ChEMBL
δ OPRD Human Opioid A pKi 8.32 8.32 8.32 ChEMBL
κ OPRK Human Opioid A pKi 5.92 5.92 5.93 ChEMBL
μ OPRM Human Opioid A pKi 8.44 8.44 8.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pEC50 7.11 7.11 7.11 ChEMBL
μ OPRM Human Opioid A pEC50 7.14 7.14 7.14 ChEMBL