Drug Information

Drug General Information
Drug ID
D0ET0T
Former ID
DNC013301
Drug Name
2-EPI-2-THIOSALVINORIN A
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528678]
Structure
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2D MOL

3D MOL
Formula
C23H28O7S
Canonical SMILES
CC(=O)SC1CC(C2(CCC3C(=O)OC(CC3(C2C1=O)C)C4=COC=C4)C)C(=<br />O)OC
InChI
1S/C23H28O7S/c1-12(24)31-17-9-15(20(26)28-4)22(2)7-5-14-21(27)30-16(13-6-8-29-11-13)10-23(14,3)19(22)18(17)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17+,19-,22-,23-/m0/s1
InChIKey
SIUXIXPAKGOVLQ-KWMFLVSKSA-N
PubChem Compound ID
44425462
Target and Pathway
Target(s) Kappa-type opioid receptor Target Info Inhibitor [528678]
KEGG Pathway Neuroactive ligand-receptor interaction
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Opioid prodynorphin pathway
Reactome Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 528678Bioorg Med Chem Lett. 2007 Apr 15;17(8):2229-32. Epub 2007 Feb 2.Convenient synthesis and in vitro pharmacological activity of 2-thioanalogs of salvinorins A and B.
Ref 528678Bioorg Med Chem Lett. 2007 Apr 15;17(8):2229-32. Epub 2007 Feb 2.Convenient synthesis and in vitro pharmacological activity of 2-thioanalogs of salvinorins A and B.

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