Diclazuril

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

Identification

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Name
Diclazuril
Accession Number
DB11398
Type
Small Molecule
Groups
Investigational, Vet approved
Description

Diclazuril is a coccidiostat.

Structure
Thumb
Synonyms
Not Available
External IDs
P-64433 / R-64-433 / R-64433 / R64,433
Categories
UNII
K110K1B1VE
CAS number
101831-37-2
Weight
Average: 407.64
Monoisotopic: 405.9791086
Chemical Formula
C17H9Cl3N4O2
InChI Key
ZSZFUDFOPOMEET-UHFFFAOYSA-N
InChI
InChI=1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26)
IUPAC Name
2-(4-chlorophenyl)-2-[2,6-dichloro-4-(5-hydroxy-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl)phenyl]acetonitrile
SMILES
OC1=NC(=O)N(N=C1)C1=CC(Cl)=C(C(C#N)C2=CC=C(Cl)C=C2)C(Cl)=C1

Pharmacology

Indication
Not Available
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
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

References

General References
  1. Menichetti F, Moretti MV, Marroni M, Papili R, Di Candilo F: Diclazuril for cryptosporidiosis in AIDS. Am J Med. 1991 Feb;90(2):271-2. [PubMed:1996599]
  2. Kayembe K, Desmet P, Henry MC, Stoffels P: Diclazuril for Isospora belli infection in AIDS. Lancet. 1989 Jun 17;1(8651):1397-8. [PubMed:2567420]
  3. Vanparijs O, Hermans L, Marsboom R: Anticoccidial efficacy of diclazuril in partridges. Vet Rec. 1991 Oct 12;129(15):339-40. [PubMed:1750179]
  4. Vanparijs O, Hermans L, Marsboom R: Anticoccidial efficacy of diclazuril in pheasants. Vet Rec. 1990 Apr 7;126(14):332-3. [PubMed:2339490]
  5. Lindsay DS, Rippey NS, Toivio-Kinnucan MA, Blagburn BL: Ultrastructural effects of diclazuril against Toxoplasma gondii and investigation of a diclazuril-resistant mutant. J Parasitol. 1995 Jun;81(3):459-66. [PubMed:7776135]
  6. Lindsay DS, Rippey NS, Blagburn BL: Treatment of acute Toxoplasma gondii infections in mice with diclazuril or a combination of diclazuril and pyrimethamine. J Parasitol. 1995 Apr;81(2):315-8. [PubMed:7707217]
  7. Peeters JE, Geeroms R: Efficacy of diclazuril against robenidine resistant Eimeria magna in rabbits. Vet Rec. 1989 Jun 3;124(22):589-90. [PubMed:2773198]
  8. De Kock J, De Smet M, Sneyers R: Determination of diclazuril in animal feed by liquid chromatography. J Chromatogr. 1992 Jul 31;606(1):141-6. [PubMed:1500465]
  9. Vanparijs O, Hermans L, Marsboom R: Efficacy of diclazuril against Eimeria dispersa in turkeys. Avian Dis. 1991 Jul-Sep;35(3):599-600. [PubMed:1953582]
  10. Vanparijs O, Hermans L, Van der Flaes L, Marsboom R: Efficacy of diclazuril against turkey coccidiosis in dose-titration studies. Avian Dis. 1989 Jul-Sep;33(3):422-4. [PubMed:2775091]
External Links
KEGG Drug
D03794
ChemSpider
401855
BindingDB
50088493
ChEBI
95118
ChEMBL
CHEMBL284733
Wikipedia
Diclazuril

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
Not AvailableCompletedTreatmentCryptosporidiosis infection / Human Immunodeficiency Virus (HIV) Infections2

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 Solubility0.0035 mg/mLALOGPS
logP3.94ALOGPS
logP4.6ChemAxon
logS-5.1ALOGPS
pKa (Strongest Acidic)3.24ChemAxon
pKa (Strongest Basic)-9.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area89.05 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity98.39 m3·mol-1ChemAxon
Polarizability37.39 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/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
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QFT , negativeLC-MS/MSsplash10-0udi-0002900000-19f5be62e6ff385006f5
LC-MS/MS Spectrum - LC-ESI-QFT , negativeLC-MS/MSsplash10-001i-0009000000-936755679c5395356f79
LC-MS/MS Spectrum - LC-ESI-QFT , negativeLC-MS/MSsplash10-001i-0049000000-cbfb6f78b658b26cf058
LC-MS/MS Spectrum - LC-ESI-QFT , negativeLC-MS/MSsplash10-006t-0091000000-49927893ec77b288542e
LC-MS/MS Spectrum - LC-ESI-QFT , negativeLC-MS/MSsplash10-0079-0390000000-f30860756ac10cf48ba6
LC-MS/MS Spectrum - LC-ESI-QFT , negativeLC-MS/MSsplash10-0f79-0920000000-249408083c15561d5b67
MS/MS Spectrum - , positiveLC-MS/MSsplash10-001i-0079300000-e98ef7de288e67f2726c

Taxonomy

Description
This compound belongs to the class of organic compounds known as diphenylacetonitriles. These are cyclic aromatic compounds containing a diphenylacetonitrile moiety, which consists of a diphenylmethane linked to and acetonitrile to form 2,2-diphenylacetonitrile.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylacetonitriles
Direct Parent
Diphenylacetonitriles
Alternative Parents
Diphenylmethanes / Dichlorobenzenes / Aryl chlorides / 1,2,4-triazines / Heteroaromatic compounds / Lactams / Nitriles / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds
show 3 more
Substituents
Diphenylacetonitrile / Diphenylmethane / 1,3-dichlorobenzene / Chlorobenzene / Halobenzene / Aryl chloride / Aryl halide / 1,2,4-triazine / Triazine / Heteroaromatic compound
show 15 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on February 25, 2016 11:24 / Updated on September 02, 2019 19:23