CHEBI:63635 - valganciclovir

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ChEBI Name valganciclovir
ChEBI ID CHEBI:63635
Definition The L-valinyl ester of ganciclovir, into which it is rapidly converted by intestinal and hepatic esterases. It is a synthetic analogue of 2'-deoxyguanosine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
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Formula C14H22N6O5
Net Charge 0
Average Mass 354.36170
Monoisotopic Mass 354.165
InChI InChI=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
InChIKey WPVFJKSGQUFQAP-GKAPJAKFSA-N
SMILES CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c1[nH]c(N)nc2=O
Roles Classification
Biological Role(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
Application(s): 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.
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ChEBI Ontology
Outgoing 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
valganciclovir ChemIDplus
Manual Xrefs Databases
2801 DrugCentral
D02495 KEGG DRUG
DB01610 DrugBank
Valganciclovir Wikipedia
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Registry Numbers Types Sources
14503833 Reaxys Registry Number Reaxys
175865-60-8 CAS Registry Number ChemIDplus
Last Modified
22 February 2017