Baloxavir
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Baloxavir
- Accession Number
- DB15675
- Description
Baloxavir is under investigation in clinical trial NCT04327791 (Combination Therapy With Baloxavir and Oseltamavir 1 for Hospitalized Patients With Influenza (The COMBO Trial 1)).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 483.49
Monoisotopic: 483.106433604 - Chemical Formula
- C24H19F2N3O4S
- Synonyms
- Baloxavir
- External IDs
- S-033447
Pharmacology
- Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset
- Indication
- Not Available
- Contraindications & Blackbox Warnings
- Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects
- 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
- Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data
- Toxicity
- Not Available
- Affected organisms
- 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
Categories
- Drug Categories
- Classification
- Not classified
Chemical Identifiers
- UNII
- 4G86Y4JT3F
- CAS number
- 1985605-59-1
- InChI Key
- FIDLLEYNNRGVFR-CTNGQTDRSA-N
- InChI
- InChI=1S/C24H19F2N3O4S/c25-16-6-5-13-15(20(16)26)12-34-18-4-2-1-3-14(18)21(13)29-19-11-33-10-9-27(19)24(32)22-23(31)17(30)7-8-28(22)29/h1-8,19,21,31H,9-12H2/t19-,21+/m1/s1
- IUPAC Name
- (3R)-2-[(2S)-12,13-difluoro-9-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.0^{3,8}]tetradeca-10,13-diene-9,12-dione
- SMILES
- [H][C@@]12COCCN1C(=O)C1=C(O)C(=O)C=CN1N2[C@@H]1C2=C(SCC3=C1C=CC(F)=C3F)C=CC=C2
References
- General References
- Not Available
- External Links
- ChemSpider
- 64854031
- 2197842
- PDBe Ligand
- E4Z
- Wikipedia
- Baloxavir_marboxil
- PDB Entries
- 6fs6 / 6fs7 / 6fs8 / 6fs9 / 7k0w
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2, 3 Recruiting Treatment Flu caused by Influenza 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 0.0572 mg/mL ALOGPS logP 2.01 ALOGPS logP 2.79 ChemAxon logS -3.9 ALOGPS pKa (Strongest Acidic) 10.25 ChemAxon pKa (Strongest Basic) -0.84 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 6 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 73.32 Å2 ChemAxon Rotatable Bond Count 1 ChemAxon Refractivity 124.13 m3·mol-1 ChemAxon Polarizability 45.53 Å3 ChemAxon Number of Rings 6 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
- Not Available
Drug created on April 20, 2020 16:01 / Updated on February 21, 2021 18:55