Detailed information for compound 687770

Basic information

Technical information
  • TDR Targets ID: 687770
  • Name: 4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-meth yl-1,3-thiazol-2-yl]benzamide
  • MW: 416.514 | Formula: C20H20N2O4S2
  • H donors: 1 H acceptors: 4 LogP: 3.76 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1nc(sc1C)NC(=O)c1ccc(cc1)S(=O)(=O)CC
  • InChi: 1S/C20H20N2O4S2/c1-4-28(24,25)17-11-7-15(8-12-17)19(23)22-20-21-18(13(2)27-20)14-5-9-16(26-3)10-6-14/h5-12H,4H2,1-3H3,(H,21,22,23)
  • InChiKey: LXMTUBVZQGUFLG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]benzamide
  • 4-ethylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]benzamide
  • ZINC04585894

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
Entamoeba histolytica CAAX prenyl protease family 0.0205 0.7322 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0042 0 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0182 0.6298 0.1555
Brugia malayi Glycosyl hydrolases family 31 protein 0.0182 0.6298 0.6093
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0042 0 0.5
Mycobacterium ulcerans integral membrane protein 0.0042 0 0.5
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0205 0.7322 0.5
Mycobacterium ulcerans hypothetical protein 0.0042 0 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0182 0.6298 0.1555
Mycobacterium ulcerans hypothetical protein 0.0042 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0205 0.7322 0.3891
Onchocerca volvulus 0.0105 0.284 1
Treponema pallidum hypothetical protein 0.0042 0 0.5
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0205 0.7322 0.5
Trypanosoma brucei CAAX amino terminal protease, putative 0.0205 0.7322 0.5
Giardia lamblia Hypothetical protein 0.0205 0.7322 0.5
Echinococcus multilocularis CAAX prenyl protease 2 0.0205 0.7322 0.3891
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0205 0.7322 0.5
Mycobacterium tuberculosis Probable integral membrane protein 0.0042 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0264 1 1
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0205 0.7322 0.5
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0205 0.7322 1
Echinococcus granulosus CAAX prenyl protease 2 0.0205 0.7322 0.3891
Echinococcus multilocularis survival motor neuron protein 1 0.0264 1 1
Chlamydia trachomatis hypothetical protein 0.0042 0 0.5
Toxoplasma gondii hypothetical protein 0.0042 0 0.5
Schistosoma mansoni alpha-glucosidase 0.0157 0.5156 0.6814
Toxoplasma gondii CAAX amino terminal protease family protein 0.0042 0 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0264 1 1
Plasmodium falciparum protease, putative 0.0042 0 0.5
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0042 0 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0182 0.6298 0.1555
Brugia malayi Muscleblind-like protein 0.0167 0.5616 0.5373
Toxoplasma gondii hypothetical protein 0.0042 0 0.5
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0205 0.7322 1
Brugia malayi CAAX amino terminal protease family protein 0.0205 0.7322 0.7173
Schistosoma mansoni alpha-glucosidase 0.0157 0.5156 0.6814
Plasmodium vivax protease, putative 0.0042 0 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0182 0.6298 0.1555

Activities

No activities found for this compound.

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

No literature references available for this target.

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