CHEMBL4542404


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

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 514.3

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 Rat Opioid A pKi 8.07 8.07 8.07 ChEMBL
κ OPRK Human Opioid A pKi 8.11 8.11 8.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.68 7.68 7.68 ChEMBL