CHEMBL3086306


SMILES COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1sc(NC(C)=O)nc1C3
InChIKey XIASVULWTMGARE-XZDHIHRUSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 423.2

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
δ OPRD Human Opioid A pKi 8.34 8.34 8.34 ChEMBL
κ OPRK Human Opioid A pKi 8.05 8.05 8.05 ChEMBL
μ OPRM Human Opioid A pKi 8.18 8.18 8.18 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.85 6.85 6.85 ChEMBL
μ OPRM Human Opioid A pEC50 7.1 7.1 7.1 ChEMBL
μ OPRM Human Opioid A pIC50 6.3 6.3 6.3 ChEMBL