Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0B1SW
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| Former ID |
DNC001203
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| Drug Name |
Redoxal
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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 |
C28H24N2O6
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| Canonical SMILES |
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC3=CC=CC=C3C(=O)O)OC)NC4<br />=CC=CC=C4C(=O)O
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| InChI |
1S/C28H24N2O6/c1-35-25-15-17(11-13-23(25)29-21-9-5-3-7-19(21)27(31)32)18-12-14-24(26(16-18)36-2)30-22-10-6-4-8-20(22)28(33)34/h3-16,29-30H,1-2H3,(H,31,32)(H,33,34)
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| InChIKey |
IQZIRNIZQHVBMB-UHFFFAOYSA-N
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| CAS Number |
CAS 4803-27-4
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| PubChem Compound ID | |||||
| PubChem Substance ID |
115883, 605085, 5976542, 8195248, 11445966, 14834942, 26665141, 43128696, 53205221, 56436881, 57318770, 104353225, 117487065, 118240931, 124953289, 125163702, 126424597, 128207751, 134340230, 134340424, 135029666, 142558186, 152137656, 162093388, 163165249, 179340159, 227902495, 241092866, 241348180, 242153423, 252630903
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| Target and Pathway | |||||
| Target(s) | Dihydroorotate dehydrogenase, mitochondrial | Target Info | Inhibitor | [534956], [535540] | |
| KEGG Pathway | Pyrimidine metabolism | ||||
| Metabolic pathways | |||||
| PathWhiz Pathway | Pyrimidine Metabolism | ||||
| Reactome | Pyrimidine biosynthesis | ||||
| WikiPathways | Metabolism of nucleotides | ||||
| References | |||||
| Ref 534956 | Redoxal as a new lead structure for dihydroorotate dehydrogenase inhibitors: a kinetic study of the inhibition mechanism. FEBS Lett. 2000 Feb 4;467(1):27-30. | ||||
| Ref 535540 | Malarial dihydroorotate dehydrogenase. Substrate and inhibitor specificity. J Biol Chem. 2002 Nov 1;277(44):41827-34. Epub 2002 Aug 19. | ||||
| Ref 534956 | Redoxal as a new lead structure for dihydroorotate dehydrogenase inhibitors: a kinetic study of the inhibition mechanism. FEBS Lett. 2000 Feb 4;467(1):27-30. | ||||
| Ref 535540 | Malarial dihydroorotate dehydrogenase. Substrate and inhibitor specificity. J Biol Chem. 2002 Nov 1;277(44):41827-34. Epub 2002 Aug 19. | ||||
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