Nifurtimox

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

Identification

Name
Nifurtimox
Accession Number
DB11820
Type
Small Molecule
Groups
Investigational
Description

Nifurtimox has been investigated for the treatment of Sleeping Sickness and Human African Trypanosomiasis.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
M84I3K7C2O
CAS number
23256-30-6
Weight
Average: 287.29
Monoisotopic: 287.057591705
Chemical Formula
C10H13N3O5S
InChI Key
ARFHIAQFJWUCFH-IZZDOVSWSA-N
InChI
InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+
IUPAC Name
3-methyl-4-[(E)-[(5-nitrofuran-2-yl)methylidene]amino]-1lambda6-thiomorpholine-1,1-dione
SMILES
CC1CS(=O)(=O)CCN1\N=C\C1=CC=C(O1)[N+]([O-])=O

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C08002
PubChem Compound
6842999
PubChem Substance
347828167
ChemSpider
5246596
ChEBI
7566
ChEMBL
CHEMBL290960
Wikipedia
Nifurtimox
ATC Codes
P01CC01 — Nifurtimox

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentChagas Disease1
1CompletedTreatmentNeuroblastomas1
1Not Yet RecruitingTreatmentChagas Disease1
1RecruitingTreatmentChagas Disease1
2RecruitingTreatmentMedulloblastomas / Neuroblastomas1
2, 3CompletedTreatmentHuman African Trypanosomiasis (HAT) / Trypanosoma brucei gambiense infection1
2, 3RecruitingTreatmentChagas Disease1
3Active Not RecruitingTreatmentChagas Disease1
3CompletedTreatmentTrypanosoma brucei gambiense infection1
4CompletedTreatmentHuman African Trypanosomiasis (HAT)1

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 Solubility0.285 mg/mLALOGPS
logP0.25ALOGPS
logP-0.27ChemAxon
logS-3ALOGPS
pKa (Strongest Basic)0.34ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area106.02 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity65.78 m3·mol-1ChemAxon
Polarizability26.74 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

Taxonomy

Description
This compound belongs to the class of organic compounds known as nitrofurans. These are compounds containing a furan ring which bears a nitro group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Furans
Sub Class
Nitrofurans
Direct Parent
Nitrofurans
Alternative Parents
Nitroaromatic compounds / Thiomorpholines / Sulfones / Heteroaromatic compounds / Propargyl-type 1,3-dipolar organic compounds / Oxacyclic compounds / Organic oxoazanium compounds / Hydrazones / Azacyclic compounds / Organopnictogen compounds
show 3 more
Substituents
Nitroaromatic compound / 2-nitrofuran / 1,4-thiazinane / Sulfone / Heteroaromatic compound / C-nitro compound / Organic nitro compound / Hydrazone / Organic oxoazanium / Oxacycle
show 12 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
nitrofuran antibiotic (CHEBI:7566)

Drug created on October 20, 2016 14:50 / Updated on November 02, 2018 07:16