Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0S1VJ
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| Former ID |
DNC003541
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| Drug Name |
8-(3,5-dimethoxyphenyl)-9H-purine-2,6-diamine
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C13H14N6O2
|
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| Canonical SMILES |
COC1=CC(=CC(=C1)C2=NC3=C(N2)C(=NC(=N3)N)N)OC
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| InChI |
1S/C13H14N6O2/c1-20-7-3-6(4-8(5-7)21-2)11-16-9-10(14)17-13(15)19-12(9)18-11/h3-5H,1-2H3,(H5,14,15,16,17,18,19)
|
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| InChIKey |
CFTYJGDHKCKXBN-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 Feb 15;18(4):1684-701. Epub 2010 Jan 6.CoMFA analysis of tgDHFR and rlDHFR based on antifolates with 6-5 fused ring system using the all-orientation search (AOS) routine and a modified cross-validated r(2)-guided region selection (q(2)-GRS) routine and its initial application. | ||||
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