Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D04BBF
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| Former ID |
DNC002927
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| Drug Name |
P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate
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| Synonyms |
p1-(5'-adenosyl)p5-(5'-thymidyl)pentaphosphate; CHEMBL1236157; T5A; 3tmk; 1mrn; 4TMK; AC1L9KL2; BDBM50366828; DB03280; adenosine 5'-(hexahydrogen pentaphosphate), P"" 5'-ester with thymidine; 103137-88-8; [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C20H30N7O23P5
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| Canonical SMILES |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O
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| InChI |
1S/C20H30N7O23P5/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(45-12)4-43-51(33,34)47-53(37,38)49-55(41,42)50-54(39,40)48-52(35,36)44-5-11-14(29)15(30)19(46-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12+,14+,15+,19+/m0/s1
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| InChIKey |
JCFDSPQTEMXXLO-SLFMBYJQSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Mycobacterium Thymidine monophosphate kinase (MycB tmk) | Target Info | Inhibitor | [1] |
| Thymidine kinase 1 (TK1) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Pyrimidine metabolism | |||
| Metabolic pathways | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41. | |||
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