Drug Information

Drug General Information
Drug ID
D05BCY
Former ID
DNC013300
Drug Name
2-EPI-2-THIOSALVINORIN B
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528678]
Structure
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2D MOL

3D MOL
Formula
C21H26O6S
Canonical SMILES
CC12CCC3C(=O)OC(CC3(C1C(=O)C(CC2C(=O)OC)S)C)C4=COC=C4
InChI
1S/C21H26O6S/c1-20-6-4-12-19(24)27-14(11-5-7-26-10-11)9-21(12,2)17(20)16(22)15(28)8-13(20)18(23)25-3/h5,7,10,12-15,17,28H,4,6,8-9H2,1-3H3/t12-,13-,14-,15+,17-,20-,21-/m0/s1
InChIKey
NGNBKFTYZQINBO-ZNKMMSAYSA-N
PubChem Compound ID
44425463
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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