CTD

3-DEAZACYTIDINE

Created:1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count4
Bond Count32
Aromatic Bond Count0
2D diagram of CTD

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Chemical Component Summary

Name3-DEAZACYTIDINE
Systematic Name (OpenEye OEToolkits)4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-2-one
FormulaC10 H14 N2 O5
Molecular Weight242.229
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C=C(N)C=CN1C2OC(C(O)C2O)CO
SMILESCACTVS3.341NC1=CC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O
SMILESOpenEye OEToolkits1.5.0C1=CN(C(=O)C=C1N)C2C(C(C(O2)CO)O)O
Canonical SMILESCACTVS3.341 NC1=CC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
Canonical SMILESOpenEye OEToolkits1.5.0 C1=CN(C(=O)C=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChIInChI1.03 InChI=1S/C10H14N2O5/c11-5-1-2-12(7(14)3-5)10-9(16)8(15)6(4-13)17-10/h1-3,6,8-10,13,15-16H,4,11H2/t6-,8-,9-,10-/m1/s1
InChIKeyInChI1.03 OGADSZTVCUXSOK-PEBGCTIMSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB04385 
Name3-Deazacytidine
Groups experimental
Synonyms3-Deazacytidine
Categories
  • Cytidine Deaminase, antagonists & inhibitors
  • Nucleic Acids, Nucleotides, and Nucleosides
  • Nucleosides
  • Pyrimidine Nucleosides
  • Pyrimidines

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Cytidine deaminaseMHPRFQTAFAQLADNLQSALEPILADKYFPALLTGEQVSSLKSATGLDED...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 97577
ChEMBL CHEMBL1231969
CCDC/CSD DAZCYT10