CHEMBL4106939


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cc3c(cc1Cl)OCO3)C2
InChIKey JJOPKJOJGNOCTM-ILFZRLQGSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 594.3

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
κ OPRK Human Opioid A pKi 7.18 7.18 7.18 ChEMBL
δ OPRD Human Opioid A pKi 4.73 4.73 4.73 ChEMBL
μ OPRM Human Opioid A pKi 6.79 6.79 6.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database