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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL244888
CHEMBL244888
Compound Name NIFUROXAZIDE
ChEMBL Synonyms SJ000287313 | NIFUROXAZIDE | RC-27109 | ERCEFURYL 200
Max Phase 4 (Approved)
Trade Names ERCEFURYL 200
Molecular Formula C12H9N3O5

Additional synonyms for CHEMBL244888 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)C(=O)N\N=C\c2oc(cc2)[N+](=O)[O-]
Standard InChI InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11 ...
Download InChI
Standard InChI Key YCWSUKQGVSGXJO-NTUHNPAUSA-N

Sources

  • British National Formulary
  • Drugs for Neglected Diseases Initiative (DNDi)
  • PubChem BioAssays
  • Scientific Literature
  • St Jude Malaria Screening
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL244888

Molecule Features

CHEMBL244888 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov NIFUROXAZIDE
The Cochrane Collaboration NIFUROXAZIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL244888. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 1.000
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 1.000
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 1.000
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 1.000
CHEMBL2392 DNA polymerase beta Homo sapiens 1.000
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 1.000
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 1.000
CHEMBL5514 Huntingtin Homo sapiens 1.000
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 1.000
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 1.000
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 1.000
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 1.000
CHEMBL3563 Cruzipain Trypanosoma cruzi 1.000
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 1.000
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 1.000
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.998
CHEMBL1075322 G-protein coupled receptor 55 Homo sapiens 0.991
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.988
CHEMBL4161 Urease Canavalia ensiformis 0.977
CHEMBL1293267 G-protein coupled receptor 35 Homo sapiens 0.965



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 1.000
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 1.000
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 1.000
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 1.000
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 1.000
CHEMBL2392 DNA polymerase beta Homo sapiens 1.000
CHEMBL2635 Dual specificity protein phosphatase 3 Homo sapiens 1.000
CHEMBL5514 Huntingtin Homo sapiens 1.000
CHEMBL3151 Intestinal alkaline phosphatase Mus musculus 1.000
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 1.000
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 1.000
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 1.000
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 1.000
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 1.000
CHEMBL2007628 Tyrosine-protein phosphatase non-receptor type 5 Homo sapiens 1.000
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 1.000
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 1.000
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 1.000
CHEMBL3201 Aryl hydrocarbon receptor Homo sapiens 1.000
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
275.2 275.0542 1.66 4 117.97 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.36 - 1.82 1.74 2 20 0.5

Structural Alerts

There are 7 structural alerts for CHEMBL244888. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A07 - ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
A07A - INTESTINAL ANTIINFECTIVES
A07AX - Other intestinal antiinfectives
A07AX03 - nifuroxazide

ChemSpider ChemSpider:YCWSUKQGVSGXJO-NTUHNPAUSA-N
Wikipedia Nifuroxazide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL244888



BindingDB 50396177
Brenda 109326
ChEBI 135136
ChemicalBook CB9466403
DrugCentral 1928
eMolecules 511499
FDA SRS PM5LI0P38J
Mcule MCULE-9625341097
MolPort MolPort-000-565-540
PubChem 5337997
PubChem: Thomson Pharma 14799453
Selleck nifuroxazide
SureChEMBL SCHEMBL542542
ZINC ZINC000000001808

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/YCWSUKQGVSGXJO-NTUHNPAUSA-N spacer
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