This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Fluralaner
- DrugBank Accession Number
- DB11414
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Vet approved
- Structure
Structure for Fluralaner (DB11414)
- Weight
- Average: 556.29
Monoisotopic: 555.0551158 - Chemical Formula
- C22H17Cl2F6N3O3
- Synonyms
- Fluralaner
- External IDs
- A-1443
Pharmacology
- Indication
Not Available
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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
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
- 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]
- 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]
- External Links
- ChemSpider
- 29398949
- 1538098
- ChEMBL
- CHEMBL2364610
- Wikipedia
- Fluralaner
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data
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 0.000734 mg/mL ALOGPS logP 4.83 ALOGPS logP 5.17 Chemaxon logS -5.9 ALOGPS pKa (Strongest Acidic) 11.32 Chemaxon pKa (Strongest Basic) 1.42 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 79.79 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 119.41 m3·mol-1 Chemaxon Polarizability 47.92 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 209.2495 predictedDeepCCS 1.0 (2019) [M+H]+ 211.64507 predictedDeepCCS 1.0 (2019) [M+Na]+ 217.5576 predictedDeepCCS 1.0 (2019)
Drug created at February 25, 2016 18:31 / Updated at February 21, 2021 18:53