Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D05TPU
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| Former ID |
DNC011392
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| Drug Name |
8-(2,4,5-trimethoxyphenyl)-9H-purine-2,6-diamine
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| Synonyms |
8-(2,4,5-trimethoxyphenyl)-9H-purine-2,6-diamine; 1H-Purine-2,6-diamine, 8-(3,4,5-trimethoxyphenyl)-; CHEMBL105523; 194613-10-0; 8-(2,4,5-trimethoxyphenyl)-3h-purine-2,6-diamine; 2,6-Diamino-8-(2',4',5'-trimethoxyphenyl)purine; AC1Q4FDE; AC1LAR90; CTK4E1570; DTXSID40173101; BDBM50059923; AKOS030559902; 8-(2,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C14H16N6O3
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| Canonical SMILES |
COC1=CC(=C(C=C1C2=NC3=NC(=NC(=C3N2)N)N)OC)OC
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| InChI |
1S/C14H16N6O3/c1-21-7-5-9(23-3)8(22-2)4-6(7)12-17-10-11(15)18-14(16)20-13(10)19-12/h4-5H,1-3H3,(H5,15,16,17,18,19,20)
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| InChIKey |
RPTOJQVHIPKIRX-UHFFFAOYSA-N
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| CAS Number |
CAS 194613-10-0
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Polypeptide deformylase (PDF) | 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 | Top | |||
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| REF 1 | 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 c... Bioorg Med Chem. 2010 Feb 15;18(4):1684-701. | |||
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