ETORPHINE


SMILES CCC[C@@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5
InChIKey CAHCBJPUTCKATP-FAWZKKEFSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 411.2

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 Rat Opioid A pKi 9.74 9.74 9.74 ChEMBL
δ OPRD Mouse Opioid A pKi 8.54 8.54 8.54 ChEMBL
μ OPRM Rat Opioid A pKi 9.59 9.76 9.85 ChEMBL
κ OPRK Human Opioid A pKi 9.3 9.3 9.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Guinea pig Opioid A pIC50 8.47 8.61 8.74 ChEMBL
μ OPRM Rat Opioid A pIC50 9.85 9.85 9.85 ChEMBL
δ OPRD Human Opioid A pIC50 8.89 8.89 8.89 ChEMBL