Balapiravir
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Balapiravir
- DrugBank Accession Number
- DB12283
- Background
Balapiravir has been used in trials studying the treatment of Dengue and Hepatitis C, Chronic.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 494.505
Monoisotopic: 494.21251195 - Chemical Formula
- C21H30N6O8
- Synonyms
- Balapiravir
- External IDs
- RO4588161
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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.Not Available
- Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Balapiravir Hydrochloride C860V13650 690270-65-6 RAJFQMDUVDHLII-PYZPAVLJSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as glycosylamines. These are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Glycosylamines
- Alternative Parents
- Tricarboxylic acids and derivatives / Pyrimidones / Aminopyrimidines and derivatives / Monosaccharides / Imidolactams / Hydropyrimidines / Oxolanes / Heteroaromatic compounds / Amino acids and derivatives / Azo compounds show 10 more
- Substituents
- Amine / Amino acid or derivatives / Aminopyrimidine / Aromatic heteromonocyclic compound / Azacycle / Azo compound / Azo imide / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester show 18 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- VOT0LP7I9K
- CAS number
- 690270-29-2
- InChI Key
- VKXWOLCNTHXCLF-DXEZIKHYSA-N
- InChI
- InChI=1S/C21H30N6O8/c1-10(2)17(28)32-9-21(25-26-23)15(34-19(30)12(5)6)14(33-18(29)11(3)4)16(35-21)27-8-7-13(22)24-20(27)31/h7-8,10-12,14-16H,9H2,1-6H3,(H2,22,24,31)/t14-,15+,16-,21-/m1/s1
- IUPAC Name
- [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-azido-3,4-bis[(2-methylpropanoyl)oxy]oxolan-2-yl]methyl 2-methylpropanoate
- SMILES
- CC(C)C(=O)OC[C@]1(O[C@H]([C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)N1C=CC(N)=NC1=O)N=[N+]=[N-]
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11691726
- PubChem Substance
- 347828551
- ChemSpider
- 9866453
- ChEMBL
- CHEMBL550936
- ZINC
- ZINC000035328439
- Wikipedia
- Balapiravir
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 1 1 Completed Treatment Dengue Fever 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0875 mg/mL ALOGPS logP 2.48 ALOGPS logP 2.89 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 19.22 Chemaxon pKa (Strongest Basic) -0.23 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 176.25 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 117.36 m3·mol-1 Chemaxon Polarizability 49.04 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 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]- 229.669456 predictedDarkChem Lite v0.1.0 [M-H]- 202.40459 predictedDeepCCS 1.0 (2019) [M+H]+ 230.247856 predictedDarkChem Lite v0.1.0 [M+H]+ 204.62881 predictedDeepCCS 1.0 (2019) [M+Na]+ 229.977756 predictedDarkChem Lite v0.1.0 [M+Na]+ 210.40506 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:49 / Updated at February 21, 2021 18:53