Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D06EDT
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| Former ID |
DNC003650
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| Drug Name |
ZOPOLRESTAT
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| Synonyms |
ZOPOLRESTAT; 110703-94-1; Xedia; Alond; CP-73850; Zopolrestatum [INN-Latin]; UNII-1PV3S9WP3D; C19H12F3N3O3S; CP 73850; 1PV3S9WP3D; CHEMBL10372; 3,4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine acetic acid; 3,4-dihydro-4-oxo-3-[[5-(trifluoromethyl)-2-benzothiazolyl]methyl]-1-phthalazineacetic acid; 2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phthalazin-1-yl]acetic acid; 3,4-Dihydro-4-oxo-3-((5-(trifluoromethyl)-2-benzothiazolyl)methyl)-1-phthalazineacetic acid; Zopolrestatum
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| Drug Type |
Small molecular drug
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| Indication | Diabetic complication [ICD-11: 5A2Y; ICD-10: E08-E13] | Discontinued in Phase 2 | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C19H12F3N3O3S
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=C(S3)C=CC(=C4)C(F)(F)F)CC(=O)O
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| InChI |
1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)
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| InChIKey |
BCSVCWVQNOXFGL-UHFFFAOYSA-N
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| CAS Number |
CAS 110703-94-1
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| PubChem Compound ID | ||||
| PubChem Substance ID |
4979, 4677841, 7849387, 7891237, 8151201, 12014107, 14719659, 14719661, 14719663, 14719739, 14719741, 14720015, 14720020, 14720022, 14758164, 24439936, 26705631, 26708405, 46516687, 49661426, 49661430, 49661434, 49661440, 49661448, 49661460, 50064154, 57320953, 78175922, 99445243, 103126043, 103170620, 104038222, 104298218, 111978541, 111978551, 112379023, 117504577, 126407157, 127496670, 134340855, 135018688, 137248745, 139060523, 140358853, 162103448, 162310032, 163305342, 163726884, 164194310, 178103991
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aldose reductase (AKR1B1) | Target Info | Modulator | [3] |
| BioCyc | 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 | Top | |||
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| REF 1 | URL: 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: 7419). | |||
| REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001173) | |||
| REF 3 | Comparison of the effects of Zopolrestat and Sorbinil on lens myo-inositol influx. Pharmacology. 1997 Feb;54(2):76-83. | |||
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