Drug Information

Drug General Information
Drug ID
D0T2TW
Former ID
DNC002725
Drug Name
3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551374]
Structure
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2D MOL

3D MOL
Formula
C13H11NO4S
Canonical SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(S2)CCC(=O)O
InChI
1S/C13H11NO4S/c15-13(16)7-5-11-4-6-12(19-11)9-2-1-3-10(8-9)14(17)18/h1-4,6,8H,5,7H2,(H,15,16)
InChIKey
IHKCOKRMJRDWAL-UHFFFAOYSA-N
PubChem Compound ID
25210476
PubChem Substance ID
57551446, 85262049, 99443610, 160968224
Target and Pathway
Target(s) Aldose reductase Target Info Inhibitor [551374]
BioCyc Pathway Methylglyoxal degradation III
Acetone degradation I (to methylglyoxal)
KEGG Pathway Pentose and glucuronate interconversions
Fructose and mannose metabolism
Galactose metabolism
Glycerolipid metabolism
Metabolic pathways
NetPath Pathway IL1 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
PathWhiz Pathway Fructose and Mannose Degradation
Pyruvate Metabolism
Pterine Biosynthesis
Glycerolipid Metabolism
Galactose Metabolism
WikiPathways Metapathway biotransformation
Polyol Pathway
Metabolism of steroid hormones and vitamin D
References
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.

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