2-EPI-2-THIOSALVINORIN A


SMILES COC(=O)[C@@H]1C[C@@H](SC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
InChIKey SIUXIXPAKGOVLQ-KWMFLVSKSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 448.2

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 6.82 6.82 6.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.91 6.91 6.91 ChEMBL