Drug Information
| Drug General Information | |||||
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| Drug ID |
DXRM0V
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| Drug Name |
4-[4-(4-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-ethynyl-amino]-benzoylamino}-4-carboxy-butyrylamino)-4-carboxy-butyrylamino]-4-carboxy-butyric acid anion
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| Synonyms |
CHEMBL1160188
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C33H35N7O12
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| Canonical SMILES |
Nc1nc(O)c2cc(CN(C#C)c3ccc(cc3)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/C33H35N7O12/c1-2-40(16-17-3-8-21-20(15-17)29(46)39-33(34)38-21)19-6-4-18(5-7-19)28(45)37-24(32(51)52)10-13-26(42)35-22(30(47)48)9-12-25(41)36-23(31(49)50)11-14-27(43)44/h1,3-8,15,22-24H,9-14,16H2,(H,35,42)(H,36,41)(H,37,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H3,34,38,39,46)
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| InChIKey |
UUVHCWYURYQGNG-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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