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Ponazuril

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

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Identification

Generic Name
Ponazuril
DrugBank Accession Number
DB11452
Background

Ponazuril, sold by the Bayer Corporation under the trade name Marquis, is a drug currently approved for the treatment of equine protozoal myeloencephalitis in horses, caused by Sarcocystis neurona.

Type
Small Molecule
Groups
Vet approved
Structure
3D
Similar Structures
Weight
Average: 457.38
Monoisotopic: 457.055540846
Chemical Formula
C18H14F3N3O6S
Synonyms
  • Ponazuril
External IDs
  • BAY-Vi 9143
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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 diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylethers
Direct Parent
Diphenylethers
Alternative Parents
Diarylethers / Benzenesulfonyl compounds / Phenoxy compounds / Phenol ethers / Triazinones / Toluenes / 1,3,5-triazines / Sulfones / Heteroaromatic compounds / Ureas
show 8 more
Substituents
1,3,5-triazine / Alkyl fluoride / Alkyl halide / Aromatic heteromonocyclic compound / Azacycle / Benzenesulfonyl group / Diaryl ether / Diphenylether / Ether / Halomethane
show 21 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
JPW84AS66U
CAS number
69004-04-2
InChI Key
VBUNOIXRZNJNAD-UHFFFAOYSA-N
InChI
InChI=1S/C18H14F3N3O6S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)30-12-4-6-13(7-5-12)31(28,29)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)
IUPAC Name
1-methyl-3-[3-methyl-4-(4-trifluoromethanesulfonylphenoxy)phenyl]-1,3,5-triazinane-2,4,6-trione
SMILES
CN1C(=O)NC(=O)N(C1=O)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)C(C)=C1

References

General References
  1. Furr M, Kennedy T: Cerebrospinal fluid and serum concentrations of ponazuril in horses. Vet Ther. 2001 Summer;2(3):232-7. [Article]
  2. Mitchell SM, Zajac AM, Davis WL, Kennedy TJ, Lindsay DS: The effects of ponazuril on development of apicomplexans in vitro. J Eukaryot Microbiol. 2005 May-Jun;52(3):231-5. [Article]
  3. Wise LN, Ueti MW, Kappmeyer LS, Hines MT, White SN, Davis W, Knowles DP: In vitro activity of ponazuril against Theileria equi. Vet Parasitol. 2012 Apr 30;185(2-4):282-5. doi: 10.1016/j.vetpar.2011.10.036. Epub 2011 Nov 4. [Article]
  4. Dirikolu L, Yohn R, Garrett EF, Chakkath T, Ferguson DC: Detection, quantifications and pharmacokinetics of toltrazuril sulfone (Ponazuril) in cattle. J Vet Pharmacol Ther. 2009 Jun;32(3):280-8. doi: 10.1111/j.1365-2885.2008.01039.x. [Article]
  5. Kennedy T, Campbell J, Selzer V: Safety of ponazuril 15% oral paste in horses. Vet Ther. 2001 Summer;2(3):223-31. [Article]
  6. Lindsay DS, Dubey JP, Kennedy TJ: Determination of the activity of ponazuril against Sarcocystis neurona in cell cultures. Vet Parasitol. 2000 Sep 20;92(2):165-9. [Article]
  7. Darius AK, Mehlhorn H, Heydorn AO: Effects of toltrazuril and ponazuril on Hammondia heydorni (syn. Neospora caninum) infections in mice. Parasitol Res. 2004 Apr;92(6):520-2. Epub 2004 Feb 12. [Article]
  8. Gottstein B, Eperon S, Dai WJ, Cannas A, Hemphill A, Greif G: Efficacy of toltrazuril and ponazuril against experimental Neospora caninum infection in mice. Parasitol Res. 2001 Jan;87(1):43-8. [Article]
  9. Mitchell SM, Zajac AM, Davis WL, Lindsay DS: Mode of action of ponazuril against Toxoplasma gondii tachyzoites in cell culture. J Eukaryot Microbiol. 2003;50 Suppl:689-90. [Article]
  10. Mitchell SM, Zajac AM, Davis WL, Lindsay DS: Efficacy of ponazuril in vitro and in preventing and treating Toxoplasma gondii infections in mice. J Parasitol. 2004 Jun;90(3):639-42. [Article]
ChemSpider
2312474
RxNav
298983
ChEMBL
CHEMBL2104856
ZINC
ZINC000033854754
Wikipedia
Ponazuril

Clinical Trials

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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 Solubility0.00693 mg/mLALOGPS
logP3.19ALOGPS
logP4.03Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)7.42Chemaxon
pKa (Strongest Basic)-3.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area113.09 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity99.41 m3·mol-1Chemaxon
Polarizability39.35 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-0a4i-0000900000-3993afbb0e2632b38bcd
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0003900000-bcdd21f323de20b07c19
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0540-0009200000-4f2d3f0aa28ca9a13c18
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-7108900000-fe09b70e4c8d8a7cde22
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0040-0319100000-69f9cdc45554bef0b631
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9002100000-37e52d561679d40286cc
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-192.80423
predicted
DeepCCS 1.0 (2019)
[M+H]+195.19981
predicted
DeepCCS 1.0 (2019)
[M+Na]+201.8756
predicted
DeepCCS 1.0 (2019)

Drug created at February 25, 2016 18:52 / Updated at February 21, 2021 18:53