Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D07BKE
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| Former ID |
DNC011412
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| Drug Name |
8-(3,4,5-trimethoxyphenyl)-9H-purine-2,6-diamine
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| Synonyms |
8-(3,4,5-trimethoxyphenyl)-9H-purine-2,6-diamine; CHEMBL431257; AC1LAR8R; CTK6J4531; BDBM50059933; 2,6-Diamino-8-(3',4',5'-trimethoxyphenyl)purine; 8-(3,4,5-trimethoxyphenyl)-3h-purine-2,6-diamine; 8-(3,4,5-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(=CC(=C1OC)OC)C2=NC3=NC(=NC(=C3N2)N)N
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| InChI |
1S/C14H16N6O3/c1-21-7-4-6(5-8(22-2)10(7)23-3)12-17-9-11(15)18-14(16)20-13(9)19-12/h4-5H,1-3H3,(H5,15,16,17,18,19,20)
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| InChIKey |
QPWGTISXOSFSHJ-UHFFFAOYSA-N
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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 | |||
|---|---|---|---|---|
| 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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