Drug Information

Drug General Information
Drug ID
D0E8JM
Former ID
DNC002689
Drug Name
3-Sulfinoalanine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [467935]
Structure
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2D MOL

3D MOL
Formula
C3H7NO4S
InChI
InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)
InChIKey
ADVPTQAUNPRNPO-UHFFFAOYSA-N
CAS Number
CAS 1115-65-7
PubChem Compound ID
109
PubChem Substance ID
4974500, 8150461, 16769113, 24278312, 24438489, 25631020, 46500456, 53789048, 57319964, 78144865, 85085077, 90456667, 103132083, 104293877, 117543597, 124801327, 125538854, 125948328, 127392137, 135058576, 135065510, 136352294, 137008071, 142679811, 144024037, 162022479, 162227733, 178101408, 178125665, 179294069, 179500963, 184576755, 215745189, 226765935, 242421046
Target and Pathway
Target(s) Hydroxymethylglutaryl-CoA synthase, mitochondrial Target Info Inhibitor [551393]
Peptide deformylase Target Info Inhibitor [551393]
Glutathione reductase, mitochondrial Target Info Inhibitor [551393]
BioCyc Pathway Superpathway of geranylgeranyldiphosphate biosynthesis I (via mevalonate)
Superpathway of cholesterol biosynthesis
Mevalonate pathway
Ketogenesis
KEGG Pathway Synthesis and degradation of ketone bodies
Valine, leucine and isoleucine degradation
Butanoate metabolism
Terpenoid backbone biosynthesis
Metabolic pathways
Biosynthesis of antibiotics
PPAR signaling pathway
Pathway Interaction Database Validated targets of C-MYC transcriptional repression
PathWhiz Pathway Butyrate Metabolism
Ketone Body Metabolism
Valine, Leucine and Isoleucine Degradation
Circadian clock
Reactome PPARA activates gene expression
WikiPathways Synthesis and Degradation of Ketone Bodies
Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha)
Fatty acid, triacylglycerol, and ketone body metabolism
References
Ref 467935(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4695).
Ref 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.

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