Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D04IRR
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| Former ID |
DNC003049
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| Drug Name |
Ly231514 Tetra Glu
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [551393] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C30H35N7O12
|
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| Canonical SMILES |
C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)NC<br />(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O
|
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| InChI |
1S/C30H35N7O12/c31-30-36-24-23(26(43)37-30)16(13-32-24)6-3-14-1-4-15(5-2-14)25(42)35-19(29(48)49)8-11-21(39)33-17(27(44)45)7-10-20(38)34-18(28(46)47)9-12-22(40)41/h1-2,4-5,13,17-19H,3,6-12H2,(H,33,39)(H,34,38)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,48,49)(H4,31,32,36,37,43)/t17-,18-,19-/m0/s1
|
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| InChIKey |
DVABISOQQNSPJW-FHWLQOOXSA-N
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Thymidylate synthase | Target Info | Inhibitor | [551393] | |
| 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 | 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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