CHEMBL4241369


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@](C)(C(=O)c1ccc(C(F)(F)F)cc1)C2
InChIKey XJMKGMFJEWMXQR-MUPDXCHFSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 567.3

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
δ OPRD Human Opioid A pKi 6.9 6.9 6.9 ChEMBL
κ OPRK Human Opioid A pKi 7.14 7.14 7.14 ChEMBL
μ OPRM Human Opioid A pKi 7.09 7.09 7.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pEC50 6.78 6.78 6.78 ChEMBL
κ OPRK Human Opioid A pEC50 6.76 6.76 6.76 ChEMBL