Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0S4ZT
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| Former ID |
DNC010674
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| Drug Name |
2-Allylthio-6-amino-3-benzyl-quinazolin-4(3H)-one
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C18H17N3OS
|
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| Canonical SMILES |
C=CCSC1=NC2=C(C=C(C=C2)N)C(=O)N1CC3=CC=CC=C3
|
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| InChI |
1S/C18H17N3OS/c1-2-10-23-18-20-16-9-8-14(19)11-15(16)17(22)21(18)12-13-6-4-3-5-7-13/h2-9,11H,1,10,12,19H2
|
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| InChIKey |
FKQLYAVUAISVGO-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Dihydrofolate reductase | Target Info | Inhibitor | [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 | Bioorg Med Chem. 2010 Apr 15;18(8):2849-63. Epub 2010 Mar 12.Non-classical antifolates. Part 2: synthesis, biological evaluation, and molecular modeling study of some new 2,6-substituted-quinazolin-4-ones. | ||||
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