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