CHEMBL4107918


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSCc1ccccc1)C2
InChIKey JSYKYDORIGJAKS-BUVWRSTLSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 517.3

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 9.85 9.85 9.85 ChEMBL
μ OPRM Human Opioid A pKi 8.33 8.33 8.33 ChEMBL
δ OPRD Human Opioid A pKi 7.09 7.09 7.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.64 8.64 8.64 ChEMBL
μ OPRM Human Opioid A pEC50 7.49 7.49 7.49 ChEMBL
δ OPRD Human Opioid A pEC50 6.75 6.75 6.75 ChEMBL