CHEMBL4795312


SMILES CO[C@@]12CC[C@@H](N[C@@H](Cc3ccccc3)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIKey SILMEZJWWQTRJT-LLNQJMKISA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 464.2

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
κ OPRK Guinea pig Opioid A pKi 6.82 6.82 6.82 ChEMBL
μ OPRM Rat Opioid A pKi 8.59 8.59 8.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 9.32 9.32 9.32 ChEMBL
κ OPRK Human Opioid A pEC50 5.93 5.93 5.93 ChEMBL
μ OPRM Human Opioid A pEC50 8.17 8.17 8.17 ChEMBL