Fexinidazole

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

Identification

Generic Name
Fexinidazole
DrugBank Accession Number
DB12265
Background

Fexinidazole has been investigated for the treatment of Disease, Chagas and South American Trypanosomiasis.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 279.31
Monoisotopic: 279.067762465
Chemical Formula
C12H13N3O3S
Synonyms
  • Fexinidazole

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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

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

ATC Codes
P01CA03 — Fexinidazole
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as nitroimidazoles. These are compounds containing an imidazole ring which bears a nitro group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Imidazoles
Direct Parent
Nitroimidazoles
Alternative Parents
Thiophenol ethers / 1,2,5-trisubstituted imidazoles / Phenoxy compounds / Phenol ethers / Nitroaromatic compounds / Alkyl aryl ethers / Alkylarylthioethers / N-substituted imidazoles / Heteroaromatic compounds / Organic oxoazanium compounds
show 7 more
Substituents
1,2,5-trisubstituted-imidazole / Alkyl aryl ether / Alkylarylthioether / Allyl-type 1,3-dipolar organic compound / Aromatic heteromonocyclic compound / Aryl thioether / Azacycle / Benzenoid / C-nitro compound / Ether
show 23 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
306ERL82IR
CAS number
59729-37-2
InChI Key
MIWWSGDADVMLTG-UHFFFAOYSA-N
InChI
InChI=1S/C12H13N3O3S/c1-14-11(13-7-12(14)15(16)17)8-18-9-3-5-10(19-2)6-4-9/h3-7H,8H2,1-2H3
IUPAC Name
1-methyl-2-{[4-(methylsulfanyl)phenoxy]methyl}-5-nitro-1H-imidazole
SMILES
CSC1=CC=C(OCC2=NC=C(N2C)[N+]([O-])=O)C=C1

References

General References
Not Available
PubChem Compound
68792
PubChem Substance
347828537
ChemSpider
62032
ChEMBL
CHEMBL1631694
ZINC
ZINC000000001448
Wikipedia
Fexinidazole

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentTrypanosoma brucei gambiense infection / Trypanosomiasis; Gambian1
2CompletedTreatmentChagas' Disease (Chronic) Nos1
2TerminatedTreatmentVisceral Leishmaniasis1
2Unknown StatusTreatmentChagas Disease / Trypanosomiasis, South American1
2, 3CompletedTreatmentHuman African Trypanosomiasis (HAT)2
2, 3CompletedTreatmentHuman African Trypanosomiasis (HAT) / Trypanosoma brucei gambiense infection1
2, 3RecruitingTreatmentTrypanosoma Brucei Rhodesiense; Infection1
1CompletedNot AvailableTrypanosoma brucei gambiense infection1
1CompletedBasic SciencePK in Healthy Volunteers1
1TerminatedTreatmentTrypanosoma brucei gambiense infection1

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 Solubility0.0927 mg/mLALOGPS
logP2.28ALOGPS
logP2.38ChemAxon
logS-3.5ALOGPS
pKa (Strongest Basic)1.03ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area70.19 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity72.64 m3·mol-1ChemAxon
Polarizability28.53 Å3ChemAxon
Number of Rings2ChemAxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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 October 20, 2016 21:45 / Updated on February 21, 2021 18:53