Drug Information

Drug General Information
Drug ID
D06SPO
Former ID
DNC013971
Drug Name
3,5-dichlorosalicylic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529899]
Formula
C7H4Cl2O3
Canonical SMILES
C1=C(C=C(C(=C1Cl)O)C(=O)O)Cl
InChI
1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKey
CNJGWCQEGROXEE-UHFFFAOYSA-N
PubChem Compound ID
9445
Target and Pathway
Target(s) Aldose reductase Target Info Inhibitor [529899]
Alcohol dehydrogenase Target Info Inhibitor [529899]
BioCyc Pathway Methylglyoxal degradation III
Acetone degradation I (to methylglyoxal)PWY66-401:Superpathway of tryptophan utilization
Tryptophan degradation via tryptamine
KEGG Pathway Pentose and glucuronate interconversions
Fructose and mannose metabolism
Galactose metabolism
Glycerolipid metabolism
Metabolic pathwayshsa00010:Glycolysis / Gluconeogenesis
Metabolic pathways
Biosynthesis of antibiotics
Degradation of aromatic compounds
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 DWP702:Metapathway biotransformation
Benzo(a)pyrene metabolism
References
Ref 529899Bioorg Med Chem. 2009 Feb 1;17(3):1244-50. Epub 2008 Dec 24.Correlation of binding constants and molecular modelling of inhibitors in the active sites of aldose reductase and aldehyde reductase.
Ref 529899Bioorg Med Chem. 2009 Feb 1;17(3):1244-50. Epub 2008 Dec 24.Correlation of binding constants and molecular modelling of inhibitors in the active sites of aldose reductase and aldehyde reductase.

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