valganciclovir

Ligand id: 4716

Name: valganciclovir

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 9
Topological polar surface area 166.75
Molecular weight 355.17
XLogP -1.68
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2002, prior history not available))
IUPAC Name
2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]-3-hydroxypropyl (2S)-2-amino-3-methylbutanoate
International Nonproprietary Names
INN number INN
7650 valganciclovir
Synonyms
Ro-1079070/194 | RS-079070-194 | Valcyte®
Database Links
CAS Registry No. 175865-60-8 (source: Scifinder)
ChEMBL Ligand CHEMBL1201314
DrugBank Ligand DB01610
PubChem CID 64147
Search Google for chemical match using the InChIKey WPVFJKSGQUFQAP-GKAPJAKFSA-N
Search Google for chemicals with the same backbone WPVFJKSGQUFQAP
Search PubMed clinical trials valganciclovir
Search PubMed titles valganciclovir
Search PubMed titles/abstracts valganciclovir
Search UniChem for chemical match using the InChIKey WPVFJKSGQUFQAP-GKAPJAKFSA-N
Search UniChem for chemicals with the same backbone WPVFJKSGQUFQAP
Wikipedia Valganciclovir
Comments
Valcyte® contains valganciclovir hydrochloride (PubChem CID 110632). This is a prodrug of ganciclovir (PubChem CID 3454). The INN document for this drug specifies that there is a chiral centre at (position t8) and the INN-assigned compound consists of two epimers depending on the stereochemistry at this position. The structure shown here does not specify stereochemistry at this point and represents the mixture. This is represented by the '?' in the InChI standard identifier on the 'Structure' tab.