Detailed information for compound 184999

Basic information

Technical information
  • TDR Targets ID: 184999
  • Name: 4-ethylsulfonyl-3-methyl-2-oxido-1,2,5-oxadia zol-2-ium
  • MW: 192.193 | Formula: C5H8N2O4S
  • H donors: 0 H acceptors: 4 LogP: 0.33 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCS(=O)(=O)c1no[n+](c1C)[O-]
  • InChi: 1S/C5H8N2O4S/c1-3-12(9,10)5-4(2)7(8)11-6-5/h3H2,1-2H3
  • InChiKey: JSWUDKWIWMUTNB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-ethylsulfonyl-3-methyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium
  • 4-esyl-3-methyl-2-oxido-furazan-2-ium
  • 4-ethylsulfonyl-3-methyl-2-oxido-furazan-2-ium

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni inositol monophosphatase 0.0038 0.0049 0.3572
Brugia malayi Inositol-1 0.0038 0.0049 0.159
Loa Loa (eye worm) hypothetical protein 0.0153 0.0308 0.0308
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0049 0.1584
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0031 0.0031
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0079 0.0079
Echinococcus granulosus lamin dm0 0.003 0.0031 0.101
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0049 0.1584
Loa Loa (eye worm) hypothetical protein 0.4462 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0049 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0104 0.3364
Toxoplasma gondii hypothetical protein 0.4462 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0031 0.1016
Echinococcus granulosus muscleblind protein 0.0153 0.0308 1
Echinococcus multilocularis lamin dm0 0.003 0.0031 0.101
Loa Loa (eye worm) hypothetical protein 0.4462 1 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.004 0.5
Entamoeba histolytica hypothetical protein 0.0077 0.0137 1
Echinococcus multilocularis muscleblind protein 0.0153 0.0308 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0104 0.7587
Entamoeba histolytica hypothetical protein 0.0077 0.0137 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0104 1
Brugia malayi Muscleblind-like protein 0.0153 0.0308 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.0137 0.4434
Onchocerca volvulus 0.003 0.0031 0.5
Echinococcus multilocularis lamin 0.003 0.0031 0.101
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0079 0.2556
Echinococcus multilocularis musashi 0.003 0.0031 0.101
Schistosoma mansoni hypothetical protein 0.0035 0.0042 0.309
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0049 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0104 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0042 0.1376
Loa Loa (eye worm) hypothetical protein 0.0153 0.0308 0.0308
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0104 0.0055
Schistosoma mansoni hypothetical protein 0.0077 0.0137 1
Brugia malayi intermediate filament protein 0.003 0.0031 0.1016
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0049 0.5
Brugia malayi hypothetical protein 0.0077 0.0137 0.4438
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0104 1
Entamoeba histolytica hypothetical protein 0.0077 0.0137 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0042 0.0042
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0 0.0007
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0049 0.5
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.4462 1 1
Echinococcus granulosus lamin 0.003 0.0031 0.101
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0104 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0104 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0049 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0104 0.3364
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0049 0.5
Onchocerca volvulus 0.003 0.0031 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.003 0.003
Echinococcus multilocularis muscleblind protein 1 0.0153 0.0308 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0031 0.0031
Entamoeba histolytica hypothetical protein 0.0077 0.0137 1
Schistosoma mansoni lamin 0.003 0.0031 0.2277
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0049 0.5
Schistosoma mansoni intermediate filament proteins 0.003 0.0031 0.2277
Loa Loa (eye worm) intermediate filament protein 0.003 0.0031 0.0031
Brugia malayi Latrophilin receptor protein 2 0.0016 0 0.0007
Loa Loa (eye worm) hypothetical protein 0.0051 0.0079 0.0079
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.0137 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0104 0.7587
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.0137 0.4434
Loa Loa (eye worm) inositol-1 0.0038 0.0049 0.0049
Echinococcus granulosus intermediate filament protein 0.003 0.0031 0.101
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0079 0.2556
Schistosoma mansoni inositol monophosphatase 0.0038 0.0049 0.3572
Schistosoma mansoni lamin 0.003 0.0031 0.2277

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 21 uM Inhibition of arachidonic acid (AA) induced human platelet aggregation. ChEMBL. 1324320
IC50 (functional) = 21 uM Inhibition of arachidonic acid (AA) induced human platelet aggregation. ChEMBL. 1324320

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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