Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DX3XLH
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| Drug Name |
4-(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-butyrylamino)-4-carboxy-butyric acid anion
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| Synonyms |
CHEMBL1160181
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C43H49N9O18
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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)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)ccc2n1
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| InChI |
InChI=1S/C43H49N9O18/c1-2-52(20-21-3-8-25-24(19-21)37(61)51-43(44)50-25)23-6-4-22(5-7-23)36(60)48-26(12-17-34(56)57)38(62)49-30(42(69)70)11-16-33(55)46-28(40(65)66)9-14-31(53)45-27(39(63)64)10-15-32(54)47-29(41(67)68)13-18-35(58)59/h1,3-8,19,26-30H,9-18,20H2,(H,45,53)(H,46,55)(H,47,54)(H,48,60)(H,49,62)(H,56,57)(H,58,59)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H3,44,50,51,61)
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| InChIKey |
YVHACGQTVJQBQW-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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