CHEMBL4106563


SMILES COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)C[C@H](CCOCc1ccccc1)C(=O)C3
InChIKey KYHDFAGHHSCKRP-PBNZBDRISA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 475.3

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
μ OPRM Human Opioid A pKi 6.65 6.65 6.65 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.44 6.54 6.65 ChEMBL
μ OPRM Human Opioid A pEC50 6.33 6.87 7.41 ChEMBL