FDM

3'-FLUORO-3'-DEOXYTHYMIDINE MONOPHOSPHATE


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Chemical Component Summary

Name3'-FLUORO-3'-DEOXYTHYMIDINE MONOPHOSPHATE
SynonymsPHOSPHORIC ACID MONO-[3-FLUORO-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYRO-FURAN-2-YLMETHYL] ESTER
Identifiers[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
FormulaC10 H14 F N2 O7 P
Molecular Weight324.2
TypeNON-POLYMER
Isomeric SMILESCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)F
InChIInChI=1S/C10H14FN2O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKeyGGCAVPJXJISBOA-XLPZGREQSA-N

Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count3
Bond Count36
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB03195 
Name3'-Fluoro-3'-deoxythymidine 5'-monophosphate
Groups experimental
Synonyms
  • 3'-Deoxy-3'-fluorothymidine monophosphate
  • 5'-Thymidylic acid, 3'-deoxy-3'-fluoro-
  • 3'-Fluoro-3'-deoxythymidine 5'-phosphate
  • 3'-Fluoro-3'-deoxythymidine 5'-monophosphate
CAS number25520-83-6

Drug Targets

NameTarget SequencePharmacological ActionActions
Thymidylate kinaseMAARRGALIVLEGVDRAGKSTQSRKLVEALCAAGHRAELLRFPERSTEIG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 447405
ChEMBL CHEMBL1160619