Drug Information

Drug General Information
Drug ID
D04BBF
Former ID
DNC002927
Drug Name
P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551391]
Structure
Download
2D MOL

3D MOL
Formula
C20H30N7O23P5
Canonical SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O<br />)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)<br />O
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
InChIKey
JCFDSPQTEMXXLO-SLFMBYJQSA-N
PubChem Compound ID
447202
PubChem Substance ID
826860, 835506, 836236, 7890664, 8016972, 36889421, 46392543, 46394373, 46394398, 52326526, 92309494, 104252297, 104637658, 144223592, 160845930, 179654390, 251911542
Target and Pathway
Target(s) Thymidine monophosphate kinase Target Info Inhibitor [551391]
Thymidine kinase Target Info Inhibitor [551391]
KEGG Pathway Pyrimidine metabolism
Metabolic pathways
References
Ref 551391DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-4. Nucleic Acids Res. 2011 January
Ref 551391DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-4. Nucleic Acids Res. 2011 January

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