Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D04UBQ
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| Former ID |
DNC003517
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| Drug Name |
8-(3,4-dichlorophenyl)-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 |
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| Formula |
C11H8Cl2N6
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| Canonical SMILES |
C1=CC(=C(C=C1C2=NC3=C(N2)C(=NC(=N3)N)N)Cl)Cl
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| InChI |
1S/C11H8Cl2N6/c12-5-2-1-4(3-6(5)13)9-16-7-8(14)17-11(15)19-10(7)18-9/h1-3H,(H5,14,15,16,17,18,19)
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| InChIKey |
GZDRYQKQDXYCQK-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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