CHEMBL4754944


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-KTUZKFFASA-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 7.54 7.54 7.54 ChEMBL
μ OPRM Rat Opioid A pKi 9.02 9.02 9.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 9.41 9.41 9.41 ChEMBL
κ OPRK Human Opioid A pEC50 6.66 6.66 6.66 ChEMBL
μ OPRM Human Opioid A pEC50 9.42 9.42 9.42 ChEMBL