Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5488)
Drug Name
Valganciclovir
Prodrug Info Valganciclovir is the prodrug of Ganciclovir
Synonyms
Cymeval; RS 79070; RO1079070/194; Valcyte (TN); Valganciclovir (INN); Valganciclovir (Oral); Valganciclovir [INN:BAN]; L-Valine, ester with ganciclovir; [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-2-amino-3-methylbutanoate; L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)-3-hydroxypropyl ester; 5-Amino-3-[1-(hydroxymethyl)-2-(L-valyloxy)ethoxymethyl]-6,7-dihydro-3H-imidazo[4,5-d]pyrimidin-7-one
Indication Virus infection [ICD11: 1A24-1D9Z] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 354.36 Topological Polar Surface Area 167
Heavy Atom Count 25 Rotatable Bond Count 9
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
135413535
ChEBI ID
CHEBI:63635
CAS Number
175865-60-8
TTD Drug ID
D06GWF
Formula
C14H22N6O5
Canonical SMILES
CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N)N
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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Ganciclovir DM016610
135398740
Hydrolysis - Hydrolysis 1 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007814 Valganciclovir Ganciclovir Hydrolysis - Hydrolysis ES [5]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Serine/threonine protein kinase UL97 (UL97) DMEN859 Human cytomegalovirus
UL97_HCMVA
2.7.11.1
[2]
Valacyclovir hydrolase (BPHL) DMEN738 Homo sapiens
BPHL_HUMAN
3.1.-.-
[3]
Valacyclovir hydrolase (BPHL) DMEN738 Homo sapiens
BPHL_HUMAN
3.1.-.-
[4]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4716).
2 Focus on new drugs in development against human cytomegalovirus
3 Identification of a human valacyclovirase: biphenyl hydrolase-like protein as valacyclovir hydrolase
4 Specificity of a prodrug-activating enzyme hVACVase: the leaving group effect
5 Pharmacokinetic profile of ganciclovir after its oral administration and from its prodrug, valganciclovir, in solid organ transplant recipients

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