Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Y5JB
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| Former ID |
DNC003518
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| Drug Name |
8-(2,3,4-trimethoxyphenyl)-9H-purine-2,6-diamine
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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 |
C14H16N6O3
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| Canonical SMILES |
COC1=C(C(=C(C=C1)C2=NC3=C(N2)C(=NC(=N3)N)N)OC)OC
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| InChI |
1S/C14H16N6O3/c1-21-7-5-4-6(9(22-2)10(7)23-3)12-17-8-11(15)18-14(16)20-13(8)19-12/h4-5H,1-3H3,(H5,15,16,17,18,19,20)
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| InChIKey |
PMHAERKHAISVTI-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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