Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0E3SF
|
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| Former ID |
DAP001493
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| Drug Name |
MCB-3837
|
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| Synonyms |
Oxaquin
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| Drug Type |
Small molecular drug
|
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| Indication | Malaria [ICD10:B54] | Approved | [1] | ||
| Company |
Biovertis
|
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| Structure |
|
Download2D MOL |
|||
| Formula |
C31H32F2N4NaO11P
|
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| Canonical SMILES |
CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)OCC3(CCN(CC3)C4=C(C=<br />C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)OP(=O)(O)[O-])F.[Na+]
|
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| InChI |
1S/C31H33F2N4O11P.Na/c1-17(38)34-13-20-14-37(30(42)47-20)19-4-5-27(24(33)10-19)46-16-31(48-49(43,44)45)6-8-35(9-7-31)26-12-25-21(11-23(26)32)28(39)22(29(40)41)15-36(25)18-2-3-18;/h4-5,10-12,15,18,20H,2-3,6-9,13-14,16H2,1H3,(H,34,38)(H,40,41)(H2,43,44,45);/q;+1/p-1/t20-;/m0./s1
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| InChIKey |
YJXYMDNRYHCPHB-BDQAORGHSA-M
|
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| CAS Number |
CAS 58-14-0
|
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| SuperDrug ATC ID |
P01BD01
|
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| SuperDrug CAS ID |
cas=000058140
|
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| Target and Pathway | |||||
| Target(s) | Dihydrofolate reductase | Target Info | Inhibitor | [2], [1] | |
| PathWhiz Pathway | Folate Metabolism | ||||
| Pterine Biosynthesis | |||||
| Reactome | E2F mediated regulation of DNA replication | ||||
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | |||||
| Metabolism of folate and pterines | |||||
| G1/S-Specific Transcription | |||||
| References | |||||
| REF 1 | How many modes of action should an antibiotic have? Curr Opin Pharmacol. 2008 Oct;8(5):564-73. Epub 2008 Jul 30. | ||||
| REF 2 | The fight against drug-resistant malaria: novel plasmodial targets and antimalarial drugs. Curr Med Chem. 2008;15(2):161-71. | ||||
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