Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D03PIB
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| Former ID |
DNC002721
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| Drug Name |
Alrestatin
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| Synonyms |
alrestatin; 51411-04-2; Alrestatine; Alrestatin [INN]; Alrestatinum [INN-Latin]; Alrestatine [INN-French]; Alrestatino [INN-Spanish]; UNII-515DHK15LG; Spectrum_001449; Tocris-0485; (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid; (1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid; NSC 299132; BRN 0244370; AY 22284; CHEMBL63055; 515DHK15LG; NSC299132; 1,3-Dioxo-1H-benz(de)isoquinoline-2(3H)-acetic acid; 1H-Benz[de]isoquinoline-2(3H)-aceticacid, 1,3-dioxo-; NCGC00024613-01
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| Drug Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C14H9NO4
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| Canonical SMILES |
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)O
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| InChI |
1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)
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| InChIKey |
GCUCIFQCGJIRNT-UHFFFAOYSA-N
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| CAS Number |
CAS 51411-04-2
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| PubChem Compound ID | ||||
| PubChem Substance ID |
147800, 224765, 3226047, 3897132, 7403856, 7885850, 8151438, 11113527, 11121757, 11122237, 11130822, 11132748, 11133320, 11341937, 11362120, 11362898, 11364343, 11365460, 11366905, 11368022, 11369467, 11370987, 11370988, 11372959, 11373497, 11373623, 11376184, 11377629, 11487522, 11491695, 11491904, 11495263, 14995871, 26703033, 26751737, 29221300, 46508635, 46516655, 47589173, 47810955, 48185170, 48185171, 49883441, 50104434, 50104435, 50930601, 53788020, 57321153, 58031693, 81093285
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aldose reductase (AKR1B1) | Target Info | Inhibitor | [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 | Metapathway biotransformation | |||
| Polyol Pathway | ||||
| Metabolism of steroid hormones and vitamin D | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
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