Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D06SPO
|
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| Former ID |
DNC013971
|
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| Drug Name |
3,5-dichlorosalicylic acid
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C7H4Cl2O3
|
||||
| Canonical SMILES |
C1=C(C=C(C(=C1Cl)O)C(=O)O)Cl
|
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| 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
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Aldose reductase | Target Info | Inhibitor | [1] | |
| Alcohol dehydrogenase | Target Info | Inhibitor | [1] | ||
| 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 1 | Bioorg 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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