Detailed information for compound 648783

Basic information

Technical information
  • TDR Targets ID: 648783
  • Name: 4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phen yl]piperazine-1-carbothioamide
  • MW: 383.406 | Formula: C18H17F4N3S
  • H donors: 1 H acceptors: 0 LogP: 4.29 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)N1CCN(CC1)C(=S)Nc1cccc(c1)C(F)(F)F
  • InChi: 1S/C18H17F4N3S/c19-14-4-6-16(7-5-14)24-8-10-25(11-9-24)17(26)23-15-3-1-2-13(12-15)18(20,21)22/h1-7,12H,8-11H2,(H,23,26)
  • InChiKey: RFWARUHATIDOFO-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide
  • STK025007
  • ZINC01175909

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
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0078 0.0187
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.005 0.0479 0.1087
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0193
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.005 0.0479 0.0435
Brugia malayi ethe1-prov protein 0.032 0.4025 1
Echinococcus multilocularis zinc phosphodiesterase 0.032 0.4025 0.3998
Brugia malayi metallo-beta-lactamase superfamily protein 0.032 0.4025 1
Entamoeba histolytica type A flavoprotein, putative 0.032 0.4025 1
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.032 0.4025 1
Trichomonas vaginalis conserved hypothetical protein 0.032 0.4025 1
Mycobacterium ulcerans hypothetical protein 0.032 0.4025 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0479 0.1184
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0078 0.0193
Leishmania major cleavage and polyadenylation specificity factor, putative 0.032 0.4025 1
Echinococcus multilocularis ETHE1 protein 0.032 0.4025 0.3998
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0312 0.0769
Schistosoma mansoni hypothetical protein 0.0089 0.0995 0.0953
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.005 0.0479 0.1189
Echinococcus granulosus metallo beta lactamase domain containing protein 0.032 0.4025 0.3998
Echinococcus multilocularis alkaline phosphatase 0.0171 0.2074 0.2037
Echinococcus multilocularis tumor protein p63 0.0328 0.4125 0.4098
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0078 0.008
Trypanosoma cruzi glyoxalase II 0.032 0.4025 1
Mycobacterium ulcerans hypothetical protein 0.032 0.4025 1
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0171 0.2074 0.2037
Schistosoma mansoni microtubule-associated protein tau 0.0776 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0179 0.044
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.005 0.0479 0.1087
Echinococcus granulosus dna polymerase eta 0.0019 0.0078 0.0032
Brugia malayi hypothetical protein 0.032 0.4025 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0078 0.008
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.005 0.0479 0.1016
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.032 0.4025 0.3998
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0021 0.0098 0.0243
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.032 0.4025 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0312 0.0769
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0193
Leishmania major hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative 0.032 0.4025 1
Trypanosoma cruzi glyoxalase II 0.032 0.4025 1
Trypanosoma brucei glyoxalase II 0.032 0.4025 1
Echinococcus multilocularis microtubule associated protein 2 0.0776 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.005 0.0479 0.1087
Trichomonas vaginalis conserved hypothetical protein 0.032 0.4025 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0179 0.044
Trichomonas vaginalis beta lactamase domain, putative 0.032 0.4025 1
Leishmania major DNA polymerase kappa, putative 0.0019 0.0078 0.008
Trypanosoma brucei target of rapamycin kinase 3, putative 0.004 0.0346 0.0859
Loa Loa (eye worm) hydroxyacylglutathione hydrolase 0.032 0.4025 1
Leishmania major metallo-beta-lactamase family protein-like protein 0.032 0.4025 1
Trichomonas vaginalis conserved hypothetical protein 0.032 0.4025 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0078 0.0193
Trypanosoma brucei unspecified product 0.0019 0.0078 0.0193
Toxoplasma gondii hydroxyacylglutathione hydrolase 0.032 0.4025 1
Mycobacterium leprae conserved hypothetical protein 0.032 0.4025 0.5
Trypanosoma cruzi target of rapamycin kinase 3 0.004 0.0346 0.0754
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0193
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0213 0.0523
Giardia lamblia Hydroxyacylglutathione hydrolase 0.032 0.4025 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0078 0.0032
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0078 0.0032
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0078 0.0032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0046 0.0109
Schistosoma mansoni DNA polymerase eta 0.0019 0.0078 0.0032
Trichomonas vaginalis beta lactamase domain, putative 0.032 0.4025 1
Brugia malayi metallo-beta-lactamase superfamily protein 0.032 0.4025 1
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0078 0.0032
Loa Loa (eye worm) hypothetical protein 0.0019 0.0078 0.008
Mycobacterium ulcerans hydrolase 0.032 0.4025 1
Chlamydia trachomatis ribonuclease Z 0.032 0.4025 0.5
Trichomonas vaginalis conserved hypothetical protein 0.032 0.4025 1
Trypanosoma cruzi glyoxalase II 0.032 0.4025 1
Entamoeba histolytica type A flavoprotein, putative 0.032 0.4025 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0312 0.0769
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0078 0.008
Brugia malayi MH2 domain containing protein 0.012 0.1401 0.3405
Schistosoma mansoni zinc phosphodiesterase 0.032 0.4025 0.3998
Trypanosoma brucei cleavage and polyadenylation specificity factor subunit, putative 0.032 0.4025 1
Trichomonas vaginalis A-type flavoprotein 0.032 0.4025 1
Mycobacterium tuberculosis Conserved protein 0.032 0.4025 1
Echinococcus granulosus intestinal type alkaline phosphatase 0.0171 0.2074 0.2037
Onchocerca volvulus Putative hydrolase PNKD 0.032 0.4025 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.005 0.0479 0.1087
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0345 0.0853
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0312 0.0769
Mycobacterium ulcerans hydrolase 0.032 0.4025 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0078 0.008
Plasmodium falciparum cytosolic glyoxalase II 0.032 0.4025 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.032 0.4025 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0193
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0078 0.008
Mycobacterium ulcerans Zn-dependent glyoxylase 0.032 0.4025 1
Schistosoma mansoni zinc phosphodiesterase 0.032 0.4025 0.3998
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0312 0.0769
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0078 0.008
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0078 0.0032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0345 0.0853
Mycobacterium tuberculosis Possible hydrolase 0.032 0.4025 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0217 0.0533
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.005 0.0479 0.1087
Mycobacterium tuberculosis Conserved hypothetical protein 0.032 0.4025 1
Entamoeba histolytica alkyl sulfatase, putative 0.032 0.4025 1
Onchocerca volvulus 0.032 0.4025 1
Loa Loa (eye worm) metallo-beta-lactamase superfamily protein 0.032 0.4025 1
Schistosoma mansoni hypothetical protein 0.032 0.4025 0.3998
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0171 0.2074 0.2037
Loa Loa (eye worm) hypothetical protein 0.032 0.4025 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0046 0.0109
Schistosoma mansoni alkaline phosphatase 0.0171 0.2074 0.2037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0179 0.0438
Mycobacterium ulcerans hypothetical protein 0.032 0.4025 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0078 0.008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0179 0.0438
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0171 0.2074 0.2037
Giardia lamblia Metallo-beta-lactamase superfamily protein 0.032 0.4025 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0217 0.0533
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.032 0.4025 1
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0171 0.2074 0.2037
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0078 0.008
Echinococcus granulosus dna polymerase kappa 0.0019 0.0078 0.0032
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0017 0.0046 0.0114
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.032 0.4025 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0078 0.0187
Giardia lamblia Hydroxyacylglutathione hydrolase 0.032 0.4025 1
Trichomonas vaginalis beta lactamase domain, putative 0.032 0.4025 1
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.032 0.4025 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.005 0.0479 0.1016
Onchocerca volvulus 0.032 0.4025 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.005 0.0479 0.0435
Trichomonas vaginalis disulfide oxidoreductase, putative 0.032 0.4025 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0312 0.0769
Schistosoma mansoni hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) 0.032 0.4025 0.3998
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0046 0.0109
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0046 0.0109
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.005 0.0479 0.0435
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0078 0.008
Mycobacterium leprae POSSIBLE HYDROLASE 0.032 0.4025 0.5
Leishmania major hypothetical protein, conserved 0.032 0.4025 1
Schistosoma mansoni hypothetical protein 0.032 0.4025 0.3998
Mycobacterium leprae Beta-lactamase-like protein 0.032 0.4025 0.5
Trypanosoma brucei metallo-beta-lactamase-like protein, putative 0.032 0.4025 1
Echinococcus granulosus alkaline phosphatase 0.0171 0.2074 0.2037
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0193
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0213 0.0523
Entamoeba histolytica metallo-beta-lactamase family protein 0.032 0.4025 1
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.032 0.4025 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0479 0.1184
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.032 0.4025 1
Loa Loa (eye worm) hydroxyacylglutathione hydrolase cytoplasmic 0.032 0.4025 1
Mycobacterium ulcerans hypothetical protein 0.032 0.4025 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0078 0.0193
Loa Loa (eye worm) hypothetical protein 0.0048 0.0457 0.1032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.025 0.0616
Treponema pallidum ribonuclease Z 0.032 0.4025 0.5
Plasmodium vivax hydroxyacyl glutathione hydrolase, putative 0.032 0.4025 0.5
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0171 0.2074 0.2037
Mycobacterium ulcerans hydrolase 0.032 0.4025 1
Trichomonas vaginalis conserved hypothetical protein 0.032 0.4025 1
Mycobacterium tuberculosis Conserved protein 0.032 0.4025 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0179 0.044
Echinococcus granulosus ETHE1 protein 0.032 0.4025 0.3998
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.005 0.0479 0.1087
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0179 0.044
Trichomonas vaginalis beta lactamase domain, putative 0.032 0.4025 1
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.032 0.4025 0.3998
Echinococcus granulosus zinc phosphodiesterase 0.032 0.4025 0.3998
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0264 0.0651
Trichomonas vaginalis beta lactamase domain, putative 0.032 0.4025 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0193
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0193
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.004 0.0346 0.0754
Schistosoma mansoni hypothetical protein 0.032 0.4025 0.3998
Entamoeba histolytica metallo-beta-lactamase family protein 0.032 0.4025 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0217 0.0533
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.005 0.0479 0.1189
Mycobacterium ulcerans beta lactamase-like protein 0.032 0.4025 1
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.032 0.4025 0.3998
Entamoeba histolytica hypothetical protein, conserved 0.032 0.4025 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0383 0.0947
Leishmania major DNA polymerase eta, putative 0.0019 0.0078 0.008
Mycobacterium tuberculosis Conserved hypothetical protein 0.032 0.4025 1
Entamoeba histolytica metallo-beta-lactamase family protein 0.032 0.4025 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1401 0.3405
Brugia malayi Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site. 0.032 0.4025 1
Echinococcus granulosus metallo beta lactamase domain containing protein 0.032 0.4025 0.3998
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0179 0.0438
Mycobacterium tuberculosis Possible hydrolase 0.032 0.4025 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0312 0.0769
Mycobacterium tuberculosis Conserved protein 0.032 0.4025 1
Mycobacterium tuberculosis Beta lactamase like protein 0.032 0.4025 1
Echinococcus granulosus tumor protein p63 0.0328 0.4125 0.4098
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0193
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0345 0.0853
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0345 0.0853
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0193
Loa Loa (eye worm) hypothetical protein 0.032 0.4025 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0078 0.0193
Loa Loa (eye worm) hypothetical protein 0.032 0.4025 1
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0457 0.0413
Trichomonas vaginalis conserved hypothetical protein 0.032 0.4025 1
Wolbachia endosymbiont of Brugia malayi metallo-beta-lactamase superfamily hydrolase 0.032 0.4025 0.5
Giardia lamblia GTOR 0.005 0.0479 0.1016
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0017 0.0046 0.0114
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0078 0.0193
Mycobacterium leprae conserved hypothetical protein 0.032 0.4025 0.5
Echinococcus multilocularis dna polymerase eta 0.0019 0.0078 0.0032
Trichomonas vaginalis apoptosis inducing factor, putative 0.032 0.4025 1
Trypanosoma brucei hydroxyacylglutathione hydrolase, putative 0.032 0.4025 1
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.032 0.4025 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0023 0.0135 0.0336
Mycobacterium ulcerans glyoxalase II, GloB 0.032 0.4025 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0479 0.1184
Schistosoma mansoni alkaline phosphatase 0.0171 0.2074 0.2037
Entamoeba histolytica alkyl sulfatase, putative 0.032 0.4025 1
Trichomonas vaginalis beta lactamase domain, putative 0.032 0.4025 1
Plasmodium vivax unspecified product 0.032 0.4025 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0046 0.0109
Onchocerca volvulus Hydroxyacylglutathione hydrolase, mitochondrial homolog 0.032 0.4025 1
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.032 0.4025 0.3998
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0345 0.0853
Toxoplasma gondii metallo-beta-lactamase domain-containing protein 0.032 0.4025 1
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1401 0.3405
Leishmania major metallo-beta-lactamase family-like protein 0.032 0.4025 1
Loa Loa (eye worm) hypothetical protein 0.032 0.4025 1

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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