CHEMBL3916122


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2
InChIKey JHEVLALGAHRXET-BUVWRSTLSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 501.3

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
μ OPRM Human Opioid A pKi 8.04 8.87 9.92 ChEMBL
δ OPRD Human Opioid A pKi 7.82 7.82 7.82 ChEMBL
κ OPRK Human Opioid A pKi 10.05 10.05 10.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pEC50 7.97 7.97 7.97 ChEMBL
δ OPRD Human Opioid A pEC50 7.83 7.83 7.83 ChEMBL
κ OPRK Human Opioid A pEC50 8.37 8.37 8.37 ChEMBL