22-Thiocyanatosalvinorin A


SMILES COC(=O)[C@@H]1C[C@H](OC(=O)CSC#N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
InChIKey AZPUAKGNQXURGA-ZWLNRFIDSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 489.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pKi 9.22 9.22 9.22 ChEMBL
κ OPRK Human Opioid A pEC50 5.95 8.11 10.11 ChEMBL
κ OPRK Human Opioid A pKd 9.23 9.23 9.23 ChEMBL