CHEMBL461313


SMILES O=C(NC[C@]12CC[C@@]3(O1)[C@@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2)c1ccccc1
InChIKey XFDJCAOJNOATOO-DQFDVREHSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Mouse Opioid A pIC50 9.54 9.54 9.54 ChEMBL
δ OPRD Mouse Opioid A pIC50 8.68 8.68 8.68 ChEMBL
κ OPRK Guinea pig Opioid A pIC50 9.52 9.52 9.52 ChEMBL