Valomaciclovir
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Valomaciclovir
- DrugBank Accession Number
- DB06575
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 352.395
Monoisotopic: 352.185903277 - Chemical Formula
- C15H24N6O4
- Synonyms
- Valomaciclovir
- External IDs
- EPB-348
Pharmacology
- Indication
Investigated for use/treatment in herpes zoster infections and viral infection.
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The therapeutic efficacy of 1,2-Benzodiazepine can be decreased when used in combination with Valomaciclovir. Acebutolol The risk or severity of adverse effects can be increased when Acebutolol is combined with Valomaciclovir. Acetazolamide Acetazolamide may increase the excretion rate of Valomaciclovir which could result in a lower serum level and potentially a reduction in efficacy. Adalimumab The serum concentration of Valomaciclovir can be decreased when it is combined with Adalimumab. Adenosine The therapeutic efficacy of Adenosine can be decreased when used in combination with Valomaciclovir. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Alpha amino acid esters
- Alternative Parents
- Valine and derivatives / 6-oxopurines / Hypoxanthines / Pyrimidones / Aminopyrimidines and derivatives / Fatty acid esters / N-substituted imidazoles / Vinylogous amides / Heteroaromatic compounds / Carboxylic acid esters show 8 more
- Substituents
- 6-oxopurine / Alcohol / Alpha-amino acid ester / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Carbonyl group / Carboxylic acid ester show 24 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- F094Y61748
- CAS number
- 195157-34-7
- InChI Key
- ATSZELKUSAREPW-ZJUUUORDSA-N
- InChI
- InChI=1S/C15H24N6O4/c1-8(2)10(16)14(24)25-4-3-9(6-22)5-21-7-18-11-12(21)19-15(17)20-13(11)23/h7-10,22H,3-6,16H2,1-2H3,(H3,17,19,20,23)/t9-,10+/m1/s1
- IUPAC Name
- (3R)-3-[(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)methyl]-4-hydroxybutyl (2S)-2-amino-3-methylbutanoate
- SMILES
- CC(C)[C@H](N)C(=O)OCC[C@@H](CO)CN1C=NC2=C1N=C(N)NC2=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 168312
- ChEMBL
- CHEMBL2107301
- ZINC
- ZINC000005457090
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Herpes Zoster 1 1, 2 Completed Treatment Infectious Mononucleosis 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 3.03 mg/mL ALOGPS logP -0.78 ALOGPS logP -1.1 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 10.17 Chemaxon pKa (Strongest Basic) 7.48 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 157.85 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 91.03 m3·mol-1 Chemaxon Polarizability 36.06 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-00di-9221000000-ab01414a7783b722f388 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-1049000000-55a3e849d56213f2e966 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-1903000000-0a8332f1fe147c4b0108 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0udr-1397000000-15d16afcde040fcd629e Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0089-3590000000-2f7aa1f8d87deab5a1ac Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-4971000000-e99bb57559491d4b5167 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-2901000000-8ad32224a4a152941bd8 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 172.20335 predictedDeepCCS 1.0 (2019) [M+H]+ 174.56136 predictedDeepCCS 1.0 (2019) [M+Na]+ 181.6174 predictedDeepCCS 1.0 (2019)
Drug created at March 19, 2008 16:37 / Updated at February 21, 2021 18:52