2FD

5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL

Created: 2003-08-06
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count3
Bond Count33
Aromatic Bond Count10
2D diagram of 2FD
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Chemical Component Summary

Name5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL
Synonyms2-FLUORO-2'-DEOXYADENOSINE
Systematic Name (OpenEye OEToolkits)(2R,3S,5R)-5-(6-amino-2-fluoro-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
FormulaC10 H12 F N5 O3
Molecular Weight269.232
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Fc1nc(c2ncn(c2n1)C3OC(C(O)C3)CO)N
SMILESCACTVS3.341Nc1nc(F)nc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3
SMILESOpenEye OEToolkits1.5.0c1nc2c(nc(nc2n1C3CC(C(O3)CO)O)F)N
Canonical SMILESCACTVS3.341 Nc1nc(F)nc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO)O3
Canonical SMILESOpenEye OEToolkits1.5.0 c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)F)N
InChIInChI1.03 InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
InChIKeyInChI1.03 ZWPYUXAXLRFWQC-KVQBGUIXSA-N

Drug Info: DrugBank

DrugBank IDDB02947 
Name2-Fluoro-2'-Deoxyadenosine
Groups experimental
Synonyms2-Fluoro-2'-Deoxyadenosine

Drug Targets

NameTarget SequencePharmacological ActionActions
Purine nucleoside phosphorylase DeoD-typeMATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFT...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 447864
ChEMBL CHEMBL1229920
ChEBI CHEBI:39723