VALGANCICLOVIR

Search structure
Status: Approved (2001)
Entry Type: Small molecule
Molecule Category: Parent Prodrug
ATC: J05AB14
UNII: GCU97FKN3R

Structure
InChI Key WPVFJKSGQUFQAP-GKAPJAKFSA-N
Smile CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)[nH]c(N)nc21
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H22N6O5
Molecular Weight 354.37
AlogP -1.44
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 171.37
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -8.32--7.89

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infections 3 D007239 ClinicalTrials
Colitis, Ulcerative 3 D003093 ClinicalTrials
Cytomegalovirus Infections 3 D003586 ClinicalTrials
Cytomegalovirus Retinitis 3 D017726 ClinicalTrials
Hearing Loss, Sensorineural 2 D006319 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Castleman Disease 2 D005871 ClinicalTrials
Leukemia 2 D007938 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 2 D015451 ClinicalTrials
Nasopharyngeal Carcinoma 1 D000077274 ClinicalTrials
Idiopathic Pulmonary Fibrosis 1 D054990 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials
Fatigue Syndrome, Chronic 1 D015673 ClinicalTrials
Depressive Disorder, Major 1 D003865 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 175865-60-8
ChEBI 63635
ChEMBL CHEMBL1201314
DrugBank DB01610
DrugCentral 2801
EPA CompTox DTXSID8048288
FDA SRS GCU97FKN3R
Human Metabolome Database HMDB15548
Guide to Pharmacology 4716
PharmGKB PA10227
PubChem 64147
SureChEMBL SCHEMBL28996
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