ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1103
CHEMBL1103
Compound Name FURAZOLIDONE
ChEMBL Synonyms NIFURAZOLIDONE | Furazolidone | Furall | FUROXONE
Max Phase 4 (Approved)
Trade Names Furall | FUROXONE
Molecular Formula C8H7N3O5

Additional synonyms for CHEMBL1103 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][N+](=O)c1oc(\C=N\N2CCOC2=O)cc1
Standard InChI InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)1 ...
Download InChI
Standard InChI Key PLHJDBGFXBMTGZ-WEVVVXLNSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1103

Molecule Features

CHEMBL1103 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
DNA inhibitor DNA PubMed PubMed

Clinical Data

ClinicalTrials.gov FURAZOLIDONE
The Cochrane Collaboration FURAZOLIDONE

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 CHEMBL1103. 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
CHEMBL2392 DNA polymerase beta Homo sapiens 1.000
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.999
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.999
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.999
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.999
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.999
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.998
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.997
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.995
CHEMBL5514 Huntingtin Homo sapiens 0.994
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.988
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.982
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.871
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.847
CHEMBL5508 Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus 0.815
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 0.809
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.802
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.725
CHEMBL2850 Glycogen synthase kinase-3 alpha Homo sapiens 0.648



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 1.000
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 1.000
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 1.000
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 1.000
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 1.000
CHEMBL2392 DNA polymerase beta Homo sapiens 0.999
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.998
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.998
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.997
CHEMBL5514 Huntingtin Homo sapiens 0.996
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.994
CHEMBL5804 Toll-like receptor 9 Homo sapiens 0.992
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.990
CHEMBL2635 Dual specificity protein phosphatase 3 Homo sapiens 0.990
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.982
CHEMBL3151 Intestinal alkaline phosphatase Mus musculus 0.981
CHEMBL1293255 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens 0.973
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.948
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.935
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 0.918

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
225.2 225.0386 0.97 3 98.18 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.05 -.05 1 16 0.43

Structural Alerts

There are 5 structural alerts for CHEMBL1103. To view alerts please click here.

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G01 - GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G01A - ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
G01AX - Other antiinfectives and antiseptics
G01AX06 - furazolidone

ChemSpider ChemSpider:PLHJDBGFXBMTGZ-WEVVVXLNSA-N
PubChem SID: 144205055 SID: 170464641 SID: 26749310 SID: 29215179
Wikipedia Furazolidone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1103



ACToR 67-45-8
Brenda 108980
eMolecules 511176
EPA CompTox Dashboard DTXSID4041997
FDA SRS 5J9CPU3RE0
Human Metabolome Database HMDB0014752
KEGG Ligand C07999
LINCS LSM-44949
Mcule MCULE-7057048022
MolPort MolPort-000-836-892
NMRShiftDB 75035
PubChem 5323714
PubChem: Thomson Pharma 15220531
SureChEMBL SCHEMBL64996
ZINC ZINC000000113418

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