ZJB

(2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL

Created:2015-09-22
Last modified:  2016-10-05

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count4
Bond Count42
Aromatic Bond Count10
2D diagram of ZJB

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Chemical Component Summary

Name(2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL
FormulaC13 H16 N6 O4
Molecular Weight320.304
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN1N=C(N)c2cn([CH]3O[CH](CO)[CH](O)[CH]3O)c4ncnc1c24
SMILESOpenEye OEToolkits1.7.6CN1c2c3c(cn(c3ncn2)C4C(C(C(O4)CO)O)O)C(=N1)N
Canonical SMILESCACTVS3.385 CN1N=C(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c4ncnc1c24
Canonical SMILESOpenEye OEToolkits1.7.6 CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N
InChIInChI1.03 InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1
InChIKeyInChI1.03 HOGVTUZUJGHKPL-HTVVRFAVSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB12405 
NameTriciribine
Groups investigational
DescriptionTriciribine has been used in trials studying the treatment of Leukemia, Ovarian Cancer, HER2/Neu Negative, Breast Adenocarcinoma, and Stage IV Breast Cancer, among others.
Synonyms
  • Triciribinum
  • Triciribine phosphate
  • TCN
  • Triciribina
  • Triciribine
Categories
  • Nucleic Acids, Nucleotides, and Nucleosides
  • Nucleosides
CAS number35943-35-2

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Gag-Pol polyproteinMGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGL...unknowninhibitor
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 65399
ChEMBL CHEMBL331237
ChEBI CHEBI:65310