Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05HCO
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| Former ID |
DIB015294
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| Drug Name |
1954U89
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C00-D48; ICD-9: 140-199, 210-229] | Preclinical | [1] | |
| Company |
Glaxo Wellcome plc
|
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| Structure |
 |
Download2D MOL |
||
| Formula |
C16H21N5
|
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| Canonical SMILES |
CCC(CC)N1C(=CC2=C1C=CC3=C2C(=NC(=N3)N)N)C
|
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| InChI |
1S/C16H21N5/c1-4-10(5-2)21-9(3)8-11-13(21)7-6-12-14(11)15(17)20-16(18)19-12/h6-8,10H,4-5H2,1-3H3,(H4,17,18,19,20)
|
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| InChIKey |
YBHNZQJIFKDDHM-UHFFFAOYSA-N
|
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| CAS Number |
CAS 150057-49-1
|
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Dihydrofolate reductase (DHFR) | Target Info | Modulator | [1] |
| KEGG Pathway | One carbon pool by folate | |||
| Folate biosynthesis | ||||
| Metabolic pathways | ||||
| Panther Pathway | Tetrahydrofolate biosynthesis | |||
| Formyltetrahydroformate biosynthesis | ||||
| Pathwhiz Pathway | Folate Metabolism | |||
| Pterine Biosynthesis | ||||
| Pathway Interaction Database | E2F transcription factor network | |||
| Reactome | E2F mediated regulation of DNA replication | |||
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | ||||
| Metabolism of folate and pterines | ||||
| G1/S-Specific Transcription | ||||
| WikiPathways | Nucleotide Metabolism | |||
| Trans-sulfuration and one carbon metabolism | ||||
| Retinoblastoma (RB) in Cancer | ||||
| One Carbon Metabolism | ||||
| Metabolism of water-soluble vitamins and cofactors | ||||
| Metabolism of nitric oxide | ||||
| Folate Metabolism | ||||
| Fluoropyrimidine Activity | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The pharmacokinetics of 1954U89, 1,3-diamino-7-(1-ethylpropyl)-8-methyl-7H-pyrrolo-(3,2-f)quinazoline, in dogs and rats after intravenous and oral administration. Biopharm Drug Dispos. 1997 Jul;18(5):433-42. | |||
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