CHEMBL4107470


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc3ccccc3s1)C2
InChIKey YFKQYHWQDZXKGP-RIWDBKMTSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 520.2

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 6.5 6.5 6.5 ChEMBL
κ OPRK Human Opioid A pKi 7.34 7.34 7.34 ChEMBL
μ OPRM Human Opioid A pKi 6.83 6.83 6.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.25 6.25 6.25 ChEMBL
κ OPRK Human Opioid A pEC50 6.24 6.24 6.24 ChEMBL
μ OPRM Human Opioid A pEC50 6.3 6.3 6.3 ChEMBL