5FD

5'-FLUORO-5'-DEOXYADENOSINE

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

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4 entries where 5FD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	4
Bond Count	33
Aromatic Bond Count	10

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Chemical Component Summary
Name	5'-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
Formula	C₁₀ H₁₂ F N₅ O₃
Molecular Weight	269.232
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Nc1ncnc2c1ncn2C1OC(CF)C(O)C1O
SMILES	CACTVS	3.385	Nc1ncnc2n(cnc12)[CH]3O[CH](CF)[CH](O)[CH]3O
SMILES	OpenEye OEToolkits	2.0.7	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CF)O)O)N
Canonical SMILES	CACTVS	3.385	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CF)[C@@H](O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O)N
InChI	InChI	1.03	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
InChIKey	InChI	1.03	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 ID	DB03716
Name	5'-Fluoro-5'-Deoxyadenosine
Groups	experimental
Synonyms	5'-Fluoro-5'-Deoxyadenosine
Categories	Deoxyribonucleosides Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleosides Purine Nucleosides Purines

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
5'-fluoro-5'-deoxy-adenosine synthase	MAANSTRRPIIAFMSDLGTTDDSVAQCKGLMYSICPDVTVVDVCHSMTPW...	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