CHEMBL226113


SMILES COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3
InChIKey UMNQIJNFDZCVLX-HUROMRQRSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 398.2

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 8.82 8.82 8.82 ChEMBL
κ OPRK Human Opioid A pKi 8.85 8.85 8.85 ChEMBL
μ OPRM Human Opioid A pKi 8.23 8.23 8.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.82 8.82 8.82 ChEMBL
κ OPRK Human Opioid A pEC50 7.62 7.62 7.62 ChEMBL
μ OPRM Human Opioid A pIC50 6.36 6.36 6.36 ChEMBL
μ OPRM Human Opioid A pEC50 8.77 8.77 8.77 ChEMBL