Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Q7QY
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| Former ID |
DCL001000
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| Drug Name |
SSR-125047
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| Synonyms |
Tolrestat; TOLRESTAT; 82964-04-3; Alredase; Lorestat; Tolrestatin; Tolrestatum; Tolrestatum [Latin]; AY-27773; 2-(6-Methoxy-N-methyl-5-(trifluoromethyl)naphthalene-1-carbothioamido)acetic acid; UNII-0T93LG5NMK; AY 27773; AY-27,773; CHEMBL436; 0T93LG5NMK; CHEBI:48549; LUBHDINQXIHVLS-UHFFFAOYSA-N; N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine; NCGC00183862-01; N-(6-Methoxythio-5-(trifluoromethyl)-1-naphthoyl)sarcosine; N-{[6-methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycine
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| Drug Type |
Small molecular drug
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| Indication | Schizophrenia [ICD-11: 6A20] | Phase 1 | [1] | |
| Diabetic cataract [ICD-11: 9B10.21; ICD-10: H28.0] | Withdrawn from market | [2], [3] | ||
| Company |
Sanofi-Aventis
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| Structure |
 |
Download2D MOL |
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| Formula |
C16H14F3NO3S
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| Canonical SMILES |
CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2C(F)(F)F)OC
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| InChI |
1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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| InChIKey |
LUBHDINQXIHVLS-UHFFFAOYSA-N
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| CAS Number |
CAS 82964-04-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
4773, 6595031, 7849382, 7890830, 8183065, 12014205, 14719743, 14719745, 14803262, 17422059, 26702405, 26702490, 34717457, 46508274, 46516555, 49658600, 49661446, 49972807, 57313518, 74617111, 103165598, 104301989, 109693207, 117549081, 124894577, 126522417, 126659564, 126671485, 128541561, 134339431, 134340636, 135062219, 136367754, 137003856, 142773126, 144206867, 152343606, 160965578, 162011522, 163693584, 172919741, 174530890, 178103976, 179151259, 184536599, 198944001, 210275508, 210281156, 223554755, 223682579
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| ChEBI ID |
CHEBI:48549
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| SuperDrug ATC ID |
A10XA01
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| SuperDrug CAS ID |
cas=082964043
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aldose reductase (AKR1B1) | Target Info | Inhibitor | [4] |
| Opioid receptor sigma 1 (OPRS1) | Target Info | Binder | [1] | |
| 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 | miR-targeted genes in squamous cell - TarBase | |||
| miR-targeted genes in lymphocytes - TarBase | ||||
| Metapathway biotransformation | ||||
| Polyol Pathway | ||||
| Metabolism of steroid hormones and vitamin D | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22. | |||
| REF 2 | 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: 7404). | |||
| REF 3 | Effect of tolrestat, an aldose reductase inhibitor, on neutrophil respiratory burst activity in diabetic patients. Metabolism. 1997 Jun;46(6):634-8. | |||
| REF 4 | Aldose reductase inhibitors: an update. Ann Pharmacother. 1993 Jun;27(6):751-4. | |||
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