Detailed information for compound 1468801

Basic information

Technical information
  • TDR Targets ID: 1468801
  • Name: N-[3-(trifluoromethyl)phenyl]-2-[4-[3-(triflu oromethyl)phenyl]piperazin-1-yl]acetamide
  • MW: 431.375 | Formula: C20H19F6N3O
  • H donors: 1 H acceptors: 1 LogP: 4.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)C(F)(F)F)CN1CCN(CC1)c1cccc(c1)C(F)(F)F
  • InChi: 1S/C20H19F6N3O/c21-19(22,23)14-3-1-5-16(11-14)27-18(30)13-28-7-9-29(10-8-28)17-6-2-4-15(12-17)20(24,25)26/h1-6,11-12H,7-10,13H2,(H,27,30)
  • InChiKey: TTXJYFLQTVKNQB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]acetamide
  • N-[3-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamide
  • ASN 08244601

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
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0635 0.0534 0.5
Loa Loa (eye worm) heat shock protein 90 0.0635 0.0534 0.0534
Plasmodium falciparum endoplasmin, putative 0.0635 0.0534 0.8066
Trypanosoma brucei heat shock protein, putative 0.0635 0.0534 0.0534
Trypanosoma cruzi heat shock protein 90, putative 0.0635 0.0534 0.0534
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0044 0.0044
Echinococcus multilocularis carbonic anhydrase II 0.1661 0.1436 0.1421
Plasmodium falciparum DNA gyrase subunit B 0.0635 0.0534 0.8066
Echinococcus multilocularis carbonic anhydrase 0.078 0.0662 0.0646
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0044 0.0044
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0635 0.0534 0.5
Mycobacterium ulcerans DNA gyrase subunit B 0.0635 0.0534 0.5
Loa Loa (eye worm) hypothetical protein 0.0635 0.0534 0.0534
Trypanosoma brucei carbonic anhydrase-like protein 0.1661 0.1436 0.1436
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1661 0.1436 0.1436
Schistosoma mansoni carbonic anhydrase-related 0.078 0.0662 0.0646
Trypanosoma cruzi heat shock protein 90, putative 0.0635 0.0534 0.0534
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0635 0.0534 0.5
Giardia lamblia Heat shock protein HSP 90-alpha 0.0635 0.0534 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.0635 0.0534 0.0534
Loa Loa (eye worm) hypothetical protein 0.078 0.0662 0.0662
Brugia malayi RNA binding protein 0.0076 0.0044 0.0044
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0635 0.0534 0.0517
Echinococcus granulosus carbonic anhydrase II 0.1661 0.1436 0.1421
Schistosoma mansoni carbonic anhydrase-related 0.078 0.0662 0.0646
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 1.141 1 1
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0635 0.0534 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0044 0.0026
Entamoeba histolytica heat shock protein 90, putative 0.0635 0.0534 0.5
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 1.141 1 1
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0635 0.0534 0.5
Brugia malayi Endoplasmin precursor 0.0635 0.0534 0.0534
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0635 0.0534 0.5
Mycobacterium tuberculosis Possible two component sensor kinase 0.0635 0.0534 0.5
Schistosoma mansoni endoplasmin 0.0635 0.0534 0.0517
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1661 0.1436 0.1436
Trypanosoma cruzi heat shock protein 85, putative 0.0635 0.0534 0.0534
Trypanosoma brucei heat shock protein, putative 0.0635 0.0534 0.0534
Schistosoma mansoni pyruvate dehydrogenase 1.141 1 1
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0635 0.0534 0.5
Toxoplasma gondii heat shock protein HSP90 0.0635 0.0534 0.1322
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Trypanosoma brucei heat shock protein 90, putative 0.0635 0.0534 0.0534
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Toxoplasma gondii DNA topoisomerase 2, putative 0.0635 0.0534 0.1322
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0635 0.0534 0.5
Chlamydia trachomatis DNA gyrase subunit B 0.0635 0.0534 0.5
Trypanosoma brucei heat shock protein, putative 0.0635 0.0534 0.0534
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Plasmodium falciparum heat shock protein 90 0.0635 0.0534 0.8066
Leishmania major hypothetical protein, conserved 0.0635 0.0534 0.0534
Schistosoma mansoni hypothetical protein 0.078 0.0662 0.0646
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Plasmodium vivax endoplasmin, putative 0.0635 0.0534 1
Giardia lamblia Pms1-like protein 0.0635 0.0534 0.5
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0635 0.0534 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0044 0.0026
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1661 0.1436 0.1436
Loa Loa (eye worm) carbonic anhydrase 3 0.1661 0.1436 0.1436
Trichomonas vaginalis endoplasmin, putative 0.0635 0.0534 0.5
Leishmania major mitochondrial DNA topoisomerase II 0.0635 0.0534 0.0534
Plasmodium vivax DNA gyrase subunit B, putative 0.0635 0.0534 1
Schistosoma mansoni pyruvate dehydrogenase 1.0775 0.9442 0.9441
Trypanosoma cruzi DNA topoisomerase II, putative 0.0635 0.0534 0.0534
Trypanosoma cruzi heat shock protein 85, putative 0.0635 0.0534 0.0534
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0635 0.0534 0.0534
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0635 0.0534 0.5
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0635 0.0534 0.1322
Mycobacterium leprae Probable two component sensor kinase MprB 0.0635 0.0534 0.5
Chlamydia trachomatis DNA gyrase subunit B 0.0635 0.0534 0.5
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0635 0.0534 0.0534
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0635 0.0534 0.5
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0635 0.0534 0.5
Trichomonas vaginalis receptor histidine kinase, putative 0.0635 0.0534 0.5
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0635 0.0534 0.5
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0635 0.0534 0.5
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.4624 0.4038 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0018 0.0018
Trypanosoma brucei heat shock protein 90, putative 0.0635 0.0534 0.0534
Echinococcus granulosus heat shock protein 90 0.0635 0.0534 0.0517
Trypanosoma brucei heat shock protein, putative 0.0635 0.0534 0.0534
Echinococcus multilocularis carbonic anhydrase 0.078 0.0662 0.0646
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0018 0.0018
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.078 0.0662 0.0662
Loa Loa (eye worm) TOPoisomerase family member 0.0635 0.0534 0.0534
Trypanosoma cruzi DNA topoisomerase II, putative 0.0635 0.0534 0.0534
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.3989 0.3481 0.8619
Toxoplasma gondii heat shock protein 90, putative 0.0635 0.0534 0.1322
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Leishmania major developmentally regulated phosphoprotein-like protein 1.141 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1661 0.1436 0.1421
Trichomonas vaginalis DNA topoisomerase II, putative 0.0635 0.0534 0.5
Brugia malayi Probable DNA topoisomerase II 0.0635 0.0534 0.0534
Trypanosoma brucei heat shock protein, putative 0.0635 0.0534 0.0534
Echinococcus granulosus carbonic anhydrase 0.078 0.0662 0.0646
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0635 0.0534 0.5
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0635 0.0534 0.5
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Trichomonas vaginalis sensor histidine kinase, putative 0.0635 0.0534 0.5
Loa Loa (eye worm) hypothetical protein 0.0635 0.0534 0.0534
Echinococcus granulosus carbonic anhydrase 0.078 0.0662 0.0646
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.078 0.0662 0.0662
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0044 0.0044
Mycobacterium ulcerans two component regulator - sensor kinase 0.0635 0.0534 0.5
Echinococcus granulosus carbonic anhydrase 0.078 0.0662 0.0646
Echinococcus granulosus heat shock protein 0.0635 0.0534 0.0517
Mycobacterium ulcerans two component sensor kinase MprB 0.0635 0.0534 0.5
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0635 0.0534 0.0534
Trypanosoma brucei heat shock protein, putative 0.0635 0.0534 0.0534
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0635 0.0534 0.5
Trichomonas vaginalis heat shock protein, putative 0.0635 0.0534 0.5
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.3989 0.3481 0.3481
Trypanosoma brucei developmentally regulated phosphoprotein 1.141 1 1
Trypanosoma brucei heat shock protein, putative 0.0635 0.0534 0.0534
Plasmodium falciparum DNA topoisomerase 2 0.0635 0.0534 0.8066
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Trypanosoma brucei heat shock protein, putative 0.0635 0.0534 0.0534
Brugia malayi heat shock protein 90 0.0635 0.0534 0.0534
Schistosoma mansoni carbonic anhydrase-related 0.078 0.0662 0.0646
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0635 0.0534 0.0534
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0044 0.0026
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0635 0.0534 0.5
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0635 0.0534 0.5
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0635 0.0534 0.5
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.3989 0.3481 0.3481
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0635 0.0534 0.5
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0635 0.0534 0.1322
Toxoplasma gondii hypothetical protein 0.078 0.0662 0.1639
Trichomonas vaginalis heat shock protein, putative 0.0635 0.0534 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1661 0.1436 0.1436
Plasmodium vivax DNA topoisomerase II, putative 0.0635 0.0534 1
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0635 0.0534 0.5
Plasmodium vivax hypothetical protein, conserved 0.0635 0.0534 1
Schistosoma mansoni heat shock protein 0.0635 0.0534 0.0517
Loa Loa (eye worm) hypothetical protein 1.141 1 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.078 0.0662 0.0662
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0635 0.0534 0.5
Entamoeba histolytica DNA topoisomerase II, putative 0.0635 0.0534 0.5
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Schistosoma mansoni endoplasmin 0.0635 0.0534 0.0517
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0635 0.0534 0.5
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0635 0.0534 0.5
Loa Loa (eye worm) endoplasmin 0.0635 0.0534 0.0534
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Schistosoma mansoni carbonic anhydrase 0.078 0.0662 0.0646
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0635 0.0534 0.0517
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0044 0.0026
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.3989 0.3481 0.3481
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0044 0.0026
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0635 0.0534 0.5
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0635 0.0534 0.5
Mycobacterium tuberculosis Conserved protein 0.0635 0.0534 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.078 0.0662 0.0662
Trypanosoma brucei DNA topoisomerase ii 0.0635 0.0534 0.0534
Trypanosoma brucei Heat shock protein 83, putative 0.0635 0.0534 0.0534
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0103 0.0103
Brugia malayi MH2 domain containing protein 0.0144 0.0103 0.0103
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1661 0.1436 0.1436
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1661 0.1436 0.1421
Brugia malayi TAR-binding protein 0.0076 0.0044 0.0044
Entamoeba histolytica heat shock protein 90, putative 0.0635 0.0534 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0044 0.0026
Echinococcus multilocularis heat shock protein 90 0.0635 0.0534 0.0517
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0635 0.0534 0.5
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0635 0.0534 0.0534
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0635 0.0534 0.5
Trypanosoma cruzi Heat shock protein 83, putative 0.0635 0.0534 0.0534
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0635 0.0534 0.5
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0635 0.0534 0.0534
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0635 0.0534 0.5
Leishmania major heat shock protein 83-1 0.0635 0.0534 0.0534
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0635 0.0534 0.8066
Plasmodium falciparum carbonic anhydrase 0.078 0.0662 1
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0635 0.0534 0.5
Plasmodium vivax heat shock protein 86, putative 0.0635 0.0534 1
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0635 0.0534 0.5
Echinococcus multilocularis carbonic anhydrase 0.078 0.0662 0.0646
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0103 0.0103
Mycobacterium leprae Probable two-component sensor kinase 0.0635 0.0534 0.5
Leishmania major carbonic anhydrase-like protein 0.1661 0.1436 0.1436
Schistosoma mansoni pyruvate dehydrogenase 1.0775 0.9442 0.9441
Schistosoma mansoni heat shock protein 0.0635 0.0534 0.0517
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 1.141 1 1
Schistosoma mansoni DNA topoisomerase II 0.0635 0.0534 0.0517
Leishmania major DNA topoisomerase ii 0.0635 0.0534 0.0534
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.078 0.0662 0.0662
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.078 0.0662 0.0662
Mycobacterium ulcerans putative regultory protein 0.0635 0.0534 0.5
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0635 0.0534 0.5
Echinococcus multilocularis heat shock protein 0.0635 0.0534 0.0517
Loa Loa (eye worm) hypothetical protein 0.078 0.0662 0.0662
Mycobacterium tuberculosis Probable two component sensor kinase 0.0635 0.0534 0.5
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0635 0.0534 0.0534
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 1.141 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.078 0.0662 0.0662
Trichomonas vaginalis receptor histidine kinase, putative 0.0635 0.0534 0.5
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0635 0.0534 0.0534
Echinococcus granulosus tar DNA binding protein 0.0076 0.0044 0.0026
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0635 0.0534 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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