Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DXFT5X
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| Drug Name |
4-{4-[4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-ethynyl-amino]-benzoylamino}-4-carboxy-butyrylamino)-4-carboxy-butyrylamino]-4-carboxy-butyrylamino}-4-carboxy-butyric acid anion
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| Synonyms |
CHEMBL1160192
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C38H42N8O15
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| Canonical SMILES |
Nc1nc(O)c2cc(CN(C#C)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)ccc2n1
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| InChI |
InChI=1S/C38H42N8O15/c1-2-46(18-19-3-8-23-22(17-19)33(54)45-38(39)44-23)21-6-4-20(5-7-21)32(53)42-24(11-15-30(49)50)34(55)43-27(37(60)61)10-14-29(48)40-25(35(56)57)9-13-28(47)41-26(36(58)59)12-16-31(51)52/h1,3-8,17,24-27H,9-16,18H2,(H,40,48)(H,41,47)(H,42,53)(H,43,55)(H,49,50)(H,51,52)(H,56,57)(H,58,59)(H,60,61)(H3,39,44,45,54)
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| InChIKey |
KAYSCGYEDLPRGH-UHFFFAOYSA-N
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| Target and Pathway | |||||
| Target(s) | Dihydrofolate reductase | Target Info | [1587926] | ||
| Thymidylate synthase | Target Info | [1587926] | |||
| BioCyc Pathway | Pyrimidine deoxyribonucleotides biosynthesis from CTP | ||||
| Pyrimidine deoxyribonucleotides de novo biosynthesis | |||||
| Superpathway of pyrimidine deoxyribonucleotides de novo biosynthesis | |||||
| Superpathway of pyrimidine deoxyribonucleoside salvage | |||||
| DTMP de novo biosynthesis (mitochondrial) | |||||
| Pyrimidine deoxyribonucleosides salvage | |||||
| Pathway Interaction Database | E2F transcription factor network | ||||
| PathWhiz Pathway | Folate Metabolism | ||||
| Pterine BiosynthesisPW000160:Pyrimidine Metabolism | |||||
| WikiPathways | Trans-sulfuration and one carbon metabolism | ||||
| Retinoblastoma (RB) in Cancer | |||||
| One Carbon Metabolism | |||||
| Integrated Pancreatic Cancer Pathway | |||||
| miR-targeted genes in muscle cell - TarBase | |||||
| miR-targeted genes in lymphocytes - TarBase | |||||
| miR-targeted genes in leukocytes - TarBase | |||||
| miR-targeted genes in epithelium - TarBase | |||||
| Metabolism of nucleotides | |||||
| Fluoropyrimidine Activity | |||||
| References | |||||
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