NAV

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
Thumb
3D
Similar Structures
Weight
Average: 483.49
Monoisotopic: 483.106433604
Chemical Formula
C24H19F2N3O4S
Synonyms
  • Baloxavir
External IDs
  • S-033447

Pharmacology

Pharmacology
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Indication
Not Available
Contraindications & Blackbox Warnings
Contraindications
Contraindications & Blackbox Warnings
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Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects
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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
Medicalerrors
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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
ChemSpider
64854031
RxNav
2197842
PDBe Ligand
E4Z
Wikipedia
Baloxavir_marboxil
PDB Entries
6fs6 / 6fs7 / 6fs8 / 6fs9 / 7k0w

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2, 3RecruitingTreatmentFlu caused by Influenza1

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
PropertyValueSource
Water Solubility0.0572 mg/mLALOGPS
logP2.01ALOGPS
logP2.79ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)10.25ChemAxon
pKa (Strongest Basic)-0.84ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area73.32 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity124.13 m3·mol-1ChemAxon
Polarizability45.53 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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