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Substrate Report for: Valacyclovir

Name Class
ValacyclovirTypePurine
Drug
Not A/B H target
Nucleoside
Other_NameValaciclovir
Valtrex
Zelitrex
ValACV
Chemical_Nomenclature2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate
FormulaC13H20N6O4
CAS_number124832-26-4
MW324.33
Paper (5)
CommentValacyclovir is an ester of acyclovir a Herpes Simplex Virus Nucleoside Analog DNA Polymerase Inhibitor. Orally administered, valacyclovir is rapidly converted by Valacyclovir hydrolase a biphenyl hydrolase-like
Gene_locushuman-BPHL
mouse-bphl
CID60773
135398742
FamilyValacyclovir-hydrolase
InChIKeyHDOVUKNUBWVHOX-QMMMGPOBSA-N
CanonicalSMILESCC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N
CC(C)C(C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N
InChIInChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1
IupharLig4824
WikipediaValacyclovir

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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