Detailed information for compound 725492

Basic information

Technical information
  • TDR Targets ID: 725492
  • Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfa nyl]-N-(3-fluorophenyl)acetamide
  • MW: 356.417 | Formula: C18H17FN4OS
  • H donors: 1 H acceptors: 3 LogP: 3.24 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(SCC(=O)Nc2cccc(c2)F)nnc1c1ccccc1
  • InChi: 1S/C18H17FN4OS/c1-2-23-17(13-7-4-3-5-8-13)21-22-18(23)25-12-16(24)20-15-10-6-9-14(19)11-15/h3-11H,2,12H2,1H3,(H,20,24)
  • InChiKey: RFZOEFDBGOSVFL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-fluorophenyl)acetamide
  • 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)ethanamide
  • ZINC00779150
  • BAS 03931492
  • STOCK4S-91886

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 transcription factor LCR-F1 0.0038 0.0215 0.0215
Loa Loa (eye worm) hypothetical protein 0.0074 0.0744 0.1014
Mycobacterium leprae conserved hypothetical protein 0.0074 0.0744 0.5
Brugia malayi Bromodomain containing protein 0.0075 0.0758 0.1372
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0744 0.5
Brugia malayi MH2 domain containing protein 0.0124 0.1461 0.2706
Schistosoma mansoni hypothetical protein 0.0083 0.0865 0.0865
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0537 0.0537
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0744 0.5
Schistosoma mansoni hypothetical protein 0.0083 0.0865 0.0865
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0083 0.0865 0.1576
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.1461 0.2426
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0744 0.0744
Brugia malayi Bromodomain containing protein 0.0038 0.0228 0.0367
Brugia malayi beta-lactamase family protein 0.0074 0.0744 0.1346
Brugia malayi Latrophilin receptor protein 2 0.0083 0.0865 0.1576
Schistosoma mansoni hypothetical protein 0.0083 0.0865 0.0865
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0744 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0083 0.0865 0.1253
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0193 0.0193
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0137 0.1643 0.7417
Loa Loa (eye worm) hypothetical protein 0.0043 0.029 0.0122
Schistosoma mansoni pyruvate dehydrogenase 0.0369 0.4993 0.4993
Echinococcus multilocularis GPCR, family 2 0.0083 0.0865 0.0865
Loa Loa (eye worm) hypothetical protein 0.0261 0.3437 0.6319
Loa Loa (eye worm) hypothetical protein 0.0391 0.5307 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0744 0.0744
Onchocerca volvulus 0.0157 0.1935 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0263 0.0067
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.0744 0.5
Loa Loa (eye worm) hypothetical protein 0.0157 0.1935 0.3361
Schistosoma mansoni hypothetical protein 0.0179 0.2247 0.2247
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0083 0.0865 0.0865
Brugia malayi latrophilin 2 splice variant baaae 0.0179 0.2247 0.4196
Echinococcus multilocularis microtubule associated protein 2 0.0717 1 1
Schistosoma mansoni hypothetical protein 0.0038 0.0215 0.0215
Entamoeba histolytica hypothetical protein 0.0038 0.0215 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0215 0.0215
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0744 0.0744
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0083 0.0865 0.0865
Echinococcus granulosus GPCR family 2 0.0083 0.0865 0.0865
Loa Loa (eye worm) hypothetical protein 0.0074 0.0744 0.1014
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0193 0.0193
Loa Loa (eye worm) hypothetical protein 0.0179 0.2247 0.3974
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.1461 0.2426
Loa Loa (eye worm) hypothetical protein 0.0071 0.0696 0.092
Loa Loa (eye worm) beta-lactamase 0.0074 0.0744 0.1014
Brugia malayi hypothetical protein 0.0157 0.1935 0.3606
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0744 0.5
Trypanosoma brucei developmentally regulated phosphoprotein 0.0391 0.5307 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0391 0.5307 0.5307
Loa Loa (eye worm) hypothetical protein 0.0074 0.0744 0.1014
Mycobacterium ulcerans lipase LipD 0.0074 0.0744 0.5
Trichomonas vaginalis esterase, putative 0.0074 0.0744 0.5
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0137 0.1643 0.1972
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0391 0.5307 0.5307
Schistosoma mansoni hypothetical protein 0.0083 0.0865 0.0865
Schistosoma mansoni bromodomain containing protein 0.0063 0.0589 0.0589
Mycobacterium ulcerans beta-lactamase 0.0074 0.0744 0.5
Schistosoma mansoni pyruvate dehydrogenase 0.0391 0.5307 0.5307
Brugia malayi kinase, mitochondrial precursor 0.0391 0.5307 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0261 0.3437 0.6455
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0744 0.5
Mycobacterium leprae Probable lipase LipE 0.0074 0.0744 0.5
Brugia malayi beta-lactamase family protein 0.0074 0.0744 0.1346
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0744 0.1346
Brugia malayi hypothetical protein 0.0038 0.0215 0.0343
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0744 0.0744
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0474 0.6506 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0744 0.1014
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.0744 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0537 0.0537
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0744 0.5
Leishmania major developmentally regulated phosphoprotein-like protein 0.0391 0.5307 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0083 0.0865 0.0865
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0137 0.1643 0.1972
Schistosoma mansoni pyruvate dehydrogenase 0.0369 0.4993 0.4993
Entamoeba histolytica hypothetical protein 0.0038 0.0215 0.5
Brugia malayi beta-lactamase 0.0074 0.0744 0.1346
Loa Loa (eye worm) hypothetical protein 0.0074 0.0744 0.1014
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0215 0.0215
Loa Loa (eye worm) hypothetical protein 0.0083 0.0865 0.1253
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0137 0.1643 0.1972
Loa Loa (eye worm) hypothetical protein 0.0074 0.0744 0.1014
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0083 0.0865 0.0865
Loa Loa (eye worm) hypothetical protein 0.0074 0.0744 0.1014
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0261 0.3437 0.6455
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0391 0.5307 0.5307
Entamoeba histolytica hypothetical protein 0.0038 0.0215 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0261 0.3437 0.6319
Entamoeba histolytica hypothetical protein 0.0038 0.0215 0.5
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0391 0.5307 1
Schistosoma mansoni microtubule-associated protein tau 0.0717 1 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0158 0.1957 1
Mycobacterium ulcerans hypothetical protein 0.0074 0.0744 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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