Detailed information for compound 660676

Basic information

Technical information
  • TDR Targets ID: 660676
  • Name: 2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2, 4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethy l)phenyl]acetamide
  • MW: 436.451 | Formula: C20H19F3N4O2S
  • H donors: 1 H acceptors: 3 LogP: 3.92 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1C)COc1ccccc1C
  • InChi: 1S/C20H19F3N4O2S/c1-13-6-3-4-9-16(13)29-11-17-25-26-19(27(17)2)30-12-18(28)24-15-8-5-7-14(10-15)20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,28)
  • InChiKey: UCGOGQFDEGAYGQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide
  • 2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide
  • BAS 03068734
  • ZINC02836160
  • AN-465/41995510
  • STK154313

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 0.0015 0.0074 0.0294
Entamoeba histolytica hypothetical protein 0.0035 0.0999 1
Echinococcus granulosus carboxylesterase 5A 0.0066 0.2509 0.3422
Echinococcus granulosus lamin dm0 0.0026 0.0581 0.0712
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1 0.3985
Leishmania major hypothetical protein, conserved 0.0035 0.1 1
Brugia malayi Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site. 0.0015 0.0074 0.0294
Mycobacterium tuberculosis Conserved protein 0.0035 0.1 0.0933
Echinococcus granulosus intermediate filament protein 0.0026 0.0581 0.0712
Loa Loa (eye worm) hypothetical protein 0.0035 0.1 0.3985
Mycobacterium ulcerans hypothetical protein 0.0035 0.1 1
Echinococcus multilocularis acetylcholinesterase 0.0066 0.2509 0.3422
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0581 0.2315
Plasmodium falciparum cytosolic glyoxalase II 0.0015 0.0074 0.5
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.1 0.0933
Mycobacterium leprae conserved hypothetical protein 0.0035 0.1 1
Echinococcus multilocularis musashi 0.0026 0.0581 0.0712
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.1 1
Giardia lamblia Hydroxyacylglutathione hydrolase 0.0015 0.0074 0.5
Echinococcus granulosus acetylcholinesterase 0.0066 0.2509 0.3422
Onchocerca volvulus 0.0035 0.1 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.1 0.0933
Brugia malayi beta-lactamase 0.0035 0.1 0.3985
Onchocerca volvulus 0.0026 0.0581 0.5474
Brugia malayi intermediate filament protein 0.0026 0.0581 0.2315
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0999 0.13
Giardia lamblia Metallo-beta-lactamase superfamily protein 0.0015 0.0074 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1 0.1301
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.1 0.0933
Loa Loa (eye worm) hypothetical protein 0.0035 0.1 0.3985
Onchocerca volvulus 0.0026 0.0581 0.5474
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0581 0.2315
Echinococcus granulosus geminin 0.0164 0.719 1
Entamoeba histolytica hypothetical protein 0.0035 0.0999 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0999 0.13
Echinococcus multilocularis lamin 0.0026 0.0581 0.0712
Brugia malayi Carboxylesterase family protein 0.0066 0.2509 1
Loa Loa (eye worm) carboxylesterase 0.0066 0.2509 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1 0.3985
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.1 0.0933
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.1 0.1301
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.1 0.3985
Echinococcus multilocularis carboxylesterase 5A 0.0066 0.2509 0.3422
Brugia malayi metallo-beta-lactamase superfamily protein 0.0015 0.0074 0.0294
Onchocerca volvulus 0.0035 0.1 1
Loa Loa (eye worm) metallo-beta-lactamase superfamily protein 0.0015 0.0074 0.0294
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.1 0.0933
Loa Loa (eye worm) hypothetical protein 0.0066 0.2509 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.1 0.0933
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.1 0.0933
Loa Loa (eye worm) hypothetical protein 0.0035 0.1 0.3985
Mycobacterium leprae Probable lipase LipE 0.0035 0.1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1 0.1301
Brugia malayi metallo-beta-lactamase superfamily protein 0.0015 0.0074 0.0294
Loa Loa (eye worm) hypothetical protein 0.0066 0.2509 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.1 1
Echinococcus multilocularis acetylcholinesterase 0.0066 0.2509 0.3422
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.1 0.0933
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1 0.3985
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.1 0.3985
Loa Loa (eye worm) hypothetical protein 0.0015 0.0074 0.0294
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0581 0.2315
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1 1
Echinococcus multilocularis lamin dm0 0.0026 0.0581 0.0712
Brugia malayi ethe1-prov protein 0.0015 0.0074 0.0294
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1 1
Trichomonas vaginalis esterase, putative 0.0035 0.1 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.1 0.0933
Brugia malayi hypothetical protein 0.0015 0.0074 0.0294
Wolbachia endosymbiont of Brugia malayi metallo-beta-lactamase superfamily hydrolase 0.0015 0.0074 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1 1
Schistosoma mansoni hypothetical protein 0.0164 0.719 1
Schistosoma mansoni hypothetical protein 0.0035 0.0999 0.13
Brugia malayi beta-lactamase family protein 0.0035 0.1 0.3985
Loa Loa (eye worm) hypothetical protein 0.0015 0.0074 0.0294
Entamoeba histolytica hypothetical protein 0.0035 0.0999 1
Schistosoma mansoni lamin 0.0026 0.0581 0.0712
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0999 0.13
Onchocerca volvulus 0.0035 0.1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0066 0.2509 0.3422
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0581 0.2315
Echinococcus granulosus lamin 0.0026 0.0581 0.0712
Chlamydia trachomatis ribonuclease Z 0.0015 0.0074 0.5
Echinococcus multilocularis geminin 0.0164 0.719 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.0581 0.0712
Toxoplasma gondii ABC1 family protein 0.0035 0.1 1
Giardia lamblia Hydroxyacylglutathione hydrolase 0.0015 0.0074 0.5
Brugia malayi Carboxylesterase family protein 0.0066 0.2509 1
Schistosoma mansoni hypothetical protein 0.0164 0.719 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.1 0.3985
Brugia malayi hypothetical protein 0.0035 0.0999 0.398
Mycobacterium ulcerans lipase LipD 0.0035 0.1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0999 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0074 0.0294
Loa Loa (eye worm) hydroxyacylglutathione hydrolase cytoplasmic 0.0015 0.0074 0.0294
Loa Loa (eye worm) acetylcholinesterase 1 0.0066 0.2509 1
Echinococcus granulosus acetylcholinesterase 0.0066 0.2509 0.3422
Treponema pallidum ribonuclease Z 0.0015 0.0074 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0558 0.2223
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.1 0.1301
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.1 1
Brugia malayi beta-lactamase family protein 0.0035 0.1 0.3985
Schistosoma mansoni lamin 0.0026 0.0581 0.0712
Loa Loa (eye worm) hydroxyacylglutathione hydrolase 0.0015 0.0074 0.0294

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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