CHEMBL5186730


SMILES O=C(N[C@@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@@H]1O2)c1ccccc1
InChIKey XRFAVQCUBSYAIS-FRNUORRXSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 444.2

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
δ OPRD Human Opioid A pKi 8.78 8.78 8.78 ChEMBL
κ OPRK Human Opioid A pKi 9.85 9.85 9.85 ChEMBL
μ OPRM Human Opioid A pKi 9.78 9.78 9.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.54 8.54 8.54 ChEMBL
κ OPRK Human Opioid A pEC50 8.74 8.74 8.74 ChEMBL
μ OPRM Human Opioid A pEC50 8.56 8.56 8.56 ChEMBL