Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D06SPO
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| Former ID |
DNC013971
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| Drug Name |
3,5-dichlorosalicylic acid
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| Synonyms |
3,5-DICHLOROSALICYLIC ACID; 3,5-Dichloro-2-hydroxybenzoic acid; 320-72-9; Benzoic acid, 3,5-dichloro-2-hydroxy-; Salicylic acid, 3,5-dichloro-; USAF DO-68; 2-Hydroxy-3,5-dichlorobenzoic acid; 3,5-Dichlorosalicylicacid; UNII-O6PXR32G3V; 3,5-Dichlorosalicyclic acid; HSDB 5562; EINECS 206-281-8; NSC 30109; 3,5-dichloro-2-hydroxy-benzoic acid; BRN 2210803; O6PXR32G3V; AI3-22601; CHEMBL449129; CNJGWCQEGROXEE-UHFFFAOYSA-N; C2U; ACMC-1CUK7; Salicylic acid,5-dichloro-; AC1Q3M9M; WLN: QVR BQ CG EG; DSSTox_RID_80582; DSSTox_CID_24914
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C7H4Cl2O3
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| Canonical SMILES |
C1=C(C=C(C(=C1C(=O)O)O)Cl)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)
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| InChIKey |
CNJGWCQEGROXEE-UHFFFAOYSA-N
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| CAS Number |
CAS 320-72-9
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:165214
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aldose reductase (AKR1B1) | Target Info | Inhibitor | [1] |
| Entamoeba Alcohol dehydrogenase 2 (Entamo ADH2) | Target Info | Inhibitor | [1] | |
| BioCyc | Methylglyoxal degradation III | |||
| Acetone degradation I (to methylglyoxal) | ||||
| Superpathway of tryptophan utilization | ||||
| Tryptophan degradation via tryptamine | ||||
| KEGG Pathway | Pentose and glucuronate interconversions | |||
| Fructose and mannose metabolism | ||||
| Galactose metabolism | ||||
| Glycerolipid metabolism | ||||
| Metabolic pathways | ||||
| Glycolysis / Gluconeogenesis | ||||
| 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 D | ||||
| Benzo(a)pyrene metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Correlation of binding constants and molecular modelling of inhibitors in the active sites of aldose reductase and aldehyde reductase. Bioorg Med Chem. 2009 Feb 1;17(3):1244-50. | |||
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