AD3

3-DEAZA-ADENOSINE

Created:2000-12-18
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count4
Bond Count35
Aromatic Bond Count10
2D diagram of AD3

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Chemical Component Summary

Name3-DEAZA-ADENOSINE
Systematic Name (OpenEye OEToolkits)(2R,3R,4S,5R)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
FormulaC11 H14 N4 O4
Molecular Weight266.253
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n1c3c(n(c1)C2OC(C(O)C2O)CO)ccnc3N
SMILESCACTVS3.341Nc1nccc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
SMILESOpenEye OEToolkits1.5.0c1cnc(c2c1n(cn2)C3C(C(C(O3)CO)O)O)N
Canonical SMILESCACTVS3.341 Nc1nccc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
Canonical SMILESOpenEye OEToolkits1.5.0 c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChIInChI1.03 InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
InChIKeyInChI1.03 DBZQFUNLCALWDY-PNHWDRBUSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB04546 
Name3-Deazaadenosine
Groups experimental
Synonyms
  • Deaza-Ado
  • 3-Deazaadenosine
  • 3-deaza-adenosine
Categories
  • Heterocyclic Compounds, Fused-Ring
  • Isomerism
  • Nucleic Acids, Nucleotides, and Nucleosides
  • Nucleosides
  • Purine Nucleosides
CAS number6736-58-9

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
IAG-nucleoside hydrolaseMAKNVVLDHDGNLDDFVAMVLLASNTEKVRLIGALCTDADCFVENGFNVT...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 23190
ChEMBL CHEMBL202701
CCDC/CSD DAZADN10