5FD

5'-FLUORO-5'-DEOXYADENOSINE

Created:2003-12-16
Last modified:  2022-06-06

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count4
Bond Count33
Aromatic Bond Count10
2D diagram of 5FD

Chemical Component Summary

Name5'-FLUORO-5'-DEOXYADENOSINE
Systematic Name (OpenEye OEToolkits)(2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-(fluoranylmethyl)oxolane-3,4-diol
FormulaC10 H12 F N5 O3
Molecular Weight269.232
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Nc1ncnc2c1ncn2C1OC(CF)C(O)C1O
SMILESCACTVS3.385Nc1ncnc2n(cnc12)[CH]3O[CH](CF)[CH](O)[CH]3O
SMILESOpenEye OEToolkits2.0.7c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CF)O)O)N
Canonical SMILESCACTVS3.385 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CF)[C@@H](O)[C@H]3O
Canonical SMILESOpenEye OEToolkits2.0.7 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O)N
InChIInChI1.03 InChI=1S/C10H12FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
InChIKeyInChI1.03 QPVLKMICBYRPSX-KQYNXXCUSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03716 
Name5'-Fluoro-5'-Deoxyadenosine
Groups experimental
Synonyms5'-Fluoro-5'-Deoxyadenosine
Categories
  • Deoxyribonucleosides
  • Heterocyclic Compounds, Fused-Ring
  • Nucleic Acids, Nucleotides, and Nucleosides
  • Nucleosides
  • Purine Nucleosides

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
5'-fluoro-5'-deoxy-adenosine synthaseMAANSTRRPIIAFMSDLGTTDDSVAQCKGLMYSICPDVTVVDVCHSMTPW...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 448403
ChEMBL CHEMBL1212979
ChEBI CHEBI:12060