Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0U7CJ
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| Former ID |
DNC014185
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| Drug Name |
4-(2,6-diamino-9H-purin-8-yl)-2,6-dimethoxyphenol
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [530674] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C13H14N6O3
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| Canonical SMILES |
COC1=CC(=C2NC3=C(N2)N=C(N=C3N)N)C=C(C1=O)OC
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| InChI |
1S/C13H14N6O3/c1-21-6-3-5(4-7(22-2)9(6)20)11-16-8-10(14)17-13(15)19-12(8)18-11/h3-4,16H,1-2H3,(H5,14,15,17,18,19)
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| InChIKey |
WMZBUCLRSCAALF-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Dihydrofolate reductase | Target Info | Inhibitor | [530674] | |
| PathWhiz Pathway | Folate Metabolism | ||||
| Pterine Biosynthesis | |||||
| References | |||||
| Ref 530674 | 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. | ||||
| Ref 530674 | 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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