EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:63635 - valganciclovir

ChEBI IDCHEBI:63635
ChEBI Namevalganciclovir
Stars
DefinitionThe L-valinyl ester of ganciclovir, into which it is rapidly converted by intestinal and hepatic esterases. It is a synthetic analogue of 2'-deoxyguanosine.
Last Modified22 February 2017
DownloadsMolfile
FormulaC14H22N6O5
Net Charge0
Average Mass354.367
Monoisotopic Mass354.16517
SMILESCC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)nc(N)nc21
InChIInChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1
InChIKeyWPVFJKSGQUFQAP-GKAPJAKFSA-N
Wikipedia
Roles Classification
Biological Role:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
Applications:
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
ChEBI Ontology
Outgoing Relation(s)
valganciclovir (CHEBI:63635) has functional parent ganciclovir (CHEBI:465284)
valganciclovir (CHEBI:63635) has functional parent guanine (CHEBI:16235)
valganciclovir (CHEBI:63635) has role antiviral drug (CHEBI:36044)
valganciclovir (CHEBI:63635) has role prodrug (CHEBI:50266)
valganciclovir (CHEBI:63635) is a L-valyl ester (CHEBI:35855)
valganciclovir (CHEBI:63635) is a purines (CHEBI:26401)
IUPAC Name 
2-[(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl L-valinate
INN  Source
valganciclovirChemIDplus
Manual XrefsDatabases
ValganciclovirWikipedia
D02495KEGG DRUG
DB01610DrugBank
2801DrugCentral
Registry NumbersSources
Reaxys:14503833Reaxys
CAS:175865-60-8ChemIDplus