CHEMBL4875933


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](c1cccc(NCc3ccc(F)cc3)c1)C2
InChIKey DOXKACRKTSDDLU-BNZUBNTLSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 580.3

Drug properties

Molecular type Small molecule
Endogenous/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 7.46 7.46 7.46 ChEMBL
κ OPRK Human Opioid A pKi 8.01 8.01 8.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database