Detailed information for compound 717885

Basic information

Technical information
  • TDR Targets ID: 717885
  • Name: 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl )sulfanyl]-N-[2-(trifluoromethyl)phenyl]aceta mide
  • MW: 407.413 | Formula: C18H16F3N5OS
  • H donors: 1 H acceptors: 4 LogP: 2.99 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1c1ccccn1
  • InChi: 1S/C18H16F3N5OS/c1-2-26-16(14-9-5-6-10-22-14)24-25-17(26)28-11-15(27)23-13-8-4-3-7-12(13)18(19,20)21/h3-10H,2,11H2,1H3,(H,23,27)
  • InChiKey: XLQHZPLBUMDXJK-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
  • 2-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide
  • 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]ethanamide
  • IVK/0011099

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
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0201 0.8353 1
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0201 0.8353 1
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0235 1 1
Loa Loa (eye worm) hypothetical protein 0.0201 0.8353 0.9928
Schistosoma mansoni hypothetical protein 0.0171 0.687 0.8225
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.3473 0.3473
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.3473 0.4127
Echinococcus granulosus aminoacyl tRNA synthase complex interacting 0.0033 0.0039 0.0047
Plasmodium falciparum tRNA import protein tRIP 0.0033 0.0039 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.3473 0.3473
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit beta 0.0033 0.0039 0.5
Giardia lamblia Methionyl-tRNA synthetase 0.0033 0.0039 0.5
Chlamydia trachomatis methionine--tRNA ligase 0.0201 0.8353 1
Schistosoma mansoni hypothetical protein 0.007 0.1865 0.2233
Plasmodium vivax methionine-tRNA ligase, putative 0.0033 0.0039 0.5
Echinococcus multilocularis aminoacyl tRNA synthase complex interacting 0.0033 0.0039 0.0047
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0039 0.5
Echinococcus multilocularis geminin 0.0171 0.687 0.8225
Schistosoma mansoni tyrosyl-tRNA synthetase 0.0033 0.0039 0.0047
Treponema pallidum methionyl-tRNA synthetase 0.0235 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0039 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0039 0.5
Leishmania major hypothetical protein, conserved 0.0033 0.0039 0.5
Leishmania major hypothetical protein 0.0033 0.0039 0.5
Trypanosoma brucei tyrosyl-tRNA synthetase, putative 0.0033 0.0039 0.5
Echinococcus granulosus tyrosyl tRNA synthetase 0.0033 0.0039 0.0047
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.0039 0.5
Trichomonas vaginalis methionyl-tRNA synthetase, putative 0.0033 0.0039 0.5
Loa Loa (eye worm) multisynthetase complex auxiliary component p43 0.0202 0.8414 1
Leishmania major tyrosyl or methionyl-tRNA synthetase-like protein 0.0033 0.0039 0.5
Schistosoma mansoni methionyl-tRNA synthetase 0.0033 0.0039 0.0047
Toxoplasma gondii methionyl-tRNA synthetase 0.0065 0.1626 1
Echinococcus multilocularis tyrosyl tRNA synthetase 0.0033 0.0039 0.0047
Trypanosoma brucei tyrosyl/methionyl-tRNA synthetase, putative 0.0033 0.0039 0.5
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit beta 0.0033 0.0039 0.5
Schistosoma mansoni hypothetical protein 0.0171 0.687 0.8225
Loa Loa (eye worm) hypothetical protein 0.007 0.1865 0.2217
Schistosoma mansoni methionine-tRNA synthetase 0.0201 0.8353 1
Trypanosoma cruzi tyrosyl or methionyl-tRNA synthetase, putative 0.0033 0.0039 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0039 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.1865 0.1865
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, beta chain PheT 0.0033 0.0039 0.5
Loa Loa (eye worm) hypothetical protein 0.0103 0.3473 0.4127
Echinococcus granulosus geminin 0.0171 0.687 0.8225
Trypanosoma cruzi tyrosyl or methionyl-tRNA synthetase, putative 0.0033 0.0039 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.0039 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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