Fluralaner

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Fluralaner
DrugBank Accession Number
DB11414
Background

Not Available

Type
Small Molecule
Groups
Experimental, Vet approved
Structure
Thumb
Weight
Average: 556.29
Monoisotopic: 555.0551158
Chemical Formula
C22H17Cl2F6N3O3
Synonyms
  • Fluralaner
External IDs
  • A-1443

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
Improve clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events & improve clinical decision support.
Learn more
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
Adverseeffects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
Learn more
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

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Hippuric acids and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives / Alpha amino acid amides / o-Toluamides / Benzoyl derivatives / Dichlorobenzenes / Aryl chlorides / Isoxazolines / Secondary carboxylic acid amides / Oxacyclic compounds / Azacyclic compounds
show 8 more
Substituents
1,3-dichlorobenzene / Alkyl fluoride / Alkyl halide / Alpha-amino acid amide / Alpha-amino acid or derivatives / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzoyl
show 25 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
WSH8393RM5
CAS number
864731-61-3
InChI Key
MLBZKOGAMRTSKP-UHFFFAOYSA-N
InChI
InChI=1S/C22H17Cl2F6N3O3/c1-11-4-12(2-3-16(11)19(35)31-9-18(34)32-10-21(25,26)27)17-8-20(36-33-17,22(28,29)30)13-5-14(23)7-15(24)6-13/h2-7H,8-10H2,1H3,(H,31,35)(H,32,34)
IUPAC Name
2-({4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylphenyl}formamido)-N-(2,2,2-trifluoroethyl)acetamide
SMILES
CC1=CC(=CC=C1C(=O)NCC(=O)NCC(F)(F)F)C1=NOC(C1)(C1=CC(Cl)=CC(Cl)=C1)C(F)(F)F

References

General References
  1. Walther FM, Fisara P, Allan MJ, Roepke RK, Nuernberger MC: Safety of concurrent treatment of dogs with fluralaner (Bravecto) and milbemycin oxime-praziquantel. Parasit Vectors. 2014 Oct 15;7:481. doi: 10.1186/s13071-014-0481-y. [Article]
  2. Gassel M, Wolf C, Noack S, Williams H, Ilg T: The novel isoxazoline ectoparasiticide fluralaner: selective inhibition of arthropod gamma-aminobutyric acid- and L-glutamate-gated chloride channels and insecticidal/acaricidal activity. Insect Biochem Mol Biol. 2014 Feb;45:111-24. doi: 10.1016/j.ibmb.2013.11.009. Epub 2013 Dec 21. [Article]
ChemSpider
29398949
RxNav
1538098
ChEMBL
CHEMBL2364610
Wikipedia
Fluralaner

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.000734 mg/mLALOGPS
logP4.83ALOGPS
logP5.17ChemAxon
logS-5.9ALOGPS
pKa (Strongest Acidic)11.32ChemAxon
pKa (Strongest Basic)1.42ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area79.79 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity119.41 m3·mol-1ChemAxon
Polarizability47.92 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on February 25, 2016 18:31 / Updated on February 21, 2021 18:53