Detailed information for compound 1478780

Basic information

Technical information
  • TDR Targets ID: 1478780
  • Name: 2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-iu m-5-yl]ethyl benzoate
  • MW: 338.443 | Formula: C20H20NO2S+
  • H donors: 0 H acceptors: 1 LogP: 4.92 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)OCCc1sc[n+](c1C)Cc1ccccc1
  • InChi: 1S/C20H20NO2S/c1-16-19(12-13-23-20(22)18-10-6-3-7-11-18)24-15-21(16)14-17-8-4-2-5-9-17/h2-11,15H,12-14H2,1H3/q+1
  • InChiKey: XDNXYWGWGVOOLQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[4-methyl-3-(phenylmethyl)thiazol-3-ium-5-yl]ethyl benzoate
  • benzoic acid 2-[4-methyl-3-(phenylmethyl)-5-thiazol-3-iumyl]ethyl ester
  • benzoic acid 2-[3-(benzyl)-4-methyl-thiazol-3-ium-5-yl]ethyl ester
  • BAS 00873447
  • ZINC00278173

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
Loa Loa (eye worm) hypothetical protein 0.0277 0.1285 0.1261
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0173 0.0749 0.0749
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0838 0.4176 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0173 0.0749 0.5
Echinococcus granulosus prolyl endopeptidase 0.0173 0.0749 0.0749
Echinococcus multilocularis acylamino acid releasing enzyme 0.0173 0.0749 0.0749
Plasmodium vivax hypothetical protein, conserved 0.0173 0.0749 0.5
Loa Loa (eye worm) hypothetical protein 0.0173 0.0749 0.0723
Entamoeba histolytica prolyl oligopeptidase family protein 0.0173 0.0749 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0173 0.0749 0.5
Brugia malayi Metabotropic glutamate receptor precursor. 0.0033 0.0028 0.0016
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0838 0.4176 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0173 0.0749 0.5
Echinococcus granulosus metabotropic glutamate receptor 5 0.0041 0.0067 0.0067
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0173 0.0749 0.5
Echinococcus granulosus Dipeptidyl peptidase 9 0.0838 0.4176 0.4176
Brugia malayi prolyl oligopeptidase family protein 0.0838 0.4176 0.417
Loa Loa (eye worm) hypothetical protein 0.0173 0.0749 0.0723
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0173 0.0749 0.5
Brugia malayi hypothetical protein 0.0561 0.2748 0.274
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0041 0.0067 0.0067
Brugia malayi prolyl oligopeptidase family protein 0.0173 0.0749 0.0738
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0173 0.0749 0.0749
Loa Loa (eye worm) hypothetical protein 0.0561 0.2748 0.2728
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0838 0.4176 1
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0734 0.364 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0067 0.004
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0838 0.4176 0.4176
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.1969 1 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0838 0.4176 0.4176
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.1969 1 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0838 0.4176 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0173 0.0749 0.0749
Giardia lamblia Alanyl dipeptidyl peptidase 0.0173 0.0749 0.5
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0173 0.0749 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0173 0.0749 0.0749
Loa Loa (eye worm) prolyl oligopeptidase 0.0173 0.0749 0.0723
Plasmodium falciparum peptidase, putative 0.0173 0.0749 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0173 0.0749 0.5
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0038 0.0051 0.0051
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0173 0.0749 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.1969 1 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.1969 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0173 0.0749 0.0738
Echinococcus multilocularis prolyl endopeptidase 0.0173 0.0749 0.0749
Trichomonas vaginalis conserved hypothetical protein 0.0173 0.0749 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0173 0.0749 0.0738
Echinococcus granulosus acylamino acid releasing enzyme 0.0173 0.0749 0.0749
Entamoeba histolytica prolyl oligopeptidase family protein 0.0173 0.0749 0.5
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0838 0.4176 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0173 0.0749 0.5
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.1969 1 1
Mycobacterium tuberculosis Probable peptidase 0.0173 0.0749 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0173 0.0749 0.5

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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