CHEMBL4112051


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CN(Cc1ccccc1)S(C)(=O)=O)C2
InChIKey DZQAFVKZCCYHNH-SROIDHQSSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 578.3

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
δ OPRD Human Opioid A pKi 6.14 6.14 6.14 ChEMBL
κ OPRK Human Opioid A pKi 9.37 9.37 9.37 ChEMBL
μ OPRM Human Opioid A pKi 7.71 7.71 7.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.82 6.82 6.82 ChEMBL
κ OPRK Human Opioid A pEC50 7.09 7.09 7.09 ChEMBL
μ OPRM Human Opioid A pEC50 6.95 6.95 6.95 ChEMBL