Detailed information for compound 709396

Basic information

Technical information
  • TDR Targets ID: 709396
  • Name: N-(2,4-difluorophenyl)-4-(4-fluorophenyl)pipe razine-1-carbothioamide
  • MW: 351.389 | Formula: C17H16F3N3S
  • H donors: 1 H acceptors: 0 LogP: 3.6 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)N1CCN(CC1)C(=S)Nc1ccc(cc1F)F
  • InChi: 1S/C17H16F3N3S/c18-12-1-4-14(5-2-12)22-7-9-23(10-8-22)17(24)21-16-6-3-13(19)11-15(16)20/h1-6,11H,7-10H2,(H,21,24)
  • InChiKey: GGWTXHTUNYCWMP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,4-difluorophenyl)-4-(4-fluorophenyl)-1-piperazinecarbothioamide
  • IVK/1046907
  • ZINC02857679

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 myelin transcription factor 1 myt1 0.0056 0.1149 0.0954
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0905 0.0705
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.1358 0.5278
Toxoplasma gondii melibiase subfamily protein 0.0107 0.3024 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0081 0.2081 0.3101
Schistosoma mansoni jumonji domain containing protein 0.0077 0.1934 0.1757
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0107 0.3024 0.287
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0107 0.3024 0.4668
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.2573 0.3919
Loa Loa (eye worm) hypothetical protein 0.0049 0.0905 0.3519
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0081 0.2081 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0905 0.1147
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0636 0.0698
Schistosoma mansoni hypothetical protein 0.0173 0.5404 0.5303
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.2657 0.4058
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0072 0.1731 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0905 0.0705
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0905 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.1149 0.1552
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0107 0.3024 0.287
Leishmania major hypothetical protein, conserved 0.0026 0.0086 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0441 0.0375
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.1069 0.5
Brugia malayi Probable ClpP-like protease 0.0081 0.2081 0.7833
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.2573 1
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0216 0.0839
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0081 0.2081 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.1069 0.5
Brugia malayi hypothetical protein 0.0026 0.0086 0.0324
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.1149 0.1552
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.2081 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0107 0.3024 0.287
Echinococcus multilocularis peptidase Clp (S14 family) 0.0053 0.1069 0.1418
Brugia malayi PHD-finger family protein 0.003 0.0216 0.0812
Brugia malayi mbt repeat family protein 0.0049 0.0905 0.3408
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0441 0.0231
Loa Loa (eye worm) hypothetical protein 0.0056 0.1149 0.4467
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.1069 0.4744
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.2081 0.6791
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0107 0.3024 0.4668
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0216 0.0442
Loa Loa (eye worm) MBCTL1 0.0056 0.1149 0.4467
Echinococcus granulosus geminin 0.0173 0.5404 0.8625
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0196 0.6231 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0107 0.3024 0.287
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.1069 0.1418
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.2573 0.3919
Loa Loa (eye worm) hypothetical protein 0.003 0.0216 0.0839
Giardia lamblia PHD finger protein 15 0.003 0.0216 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.2573 0.3919
Onchocerca volvulus 0.0049 0.0905 1
Schistosoma mansoni hypothetical protein 0.0173 0.5404 0.5303
Brugia malayi jmjC domain containing protein 0.0097 0.2657 1
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0905 0.3519
Brugia malayi jmjC domain containing protein 0.0036 0.0441 0.1662
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0072 0.1731 0.1549
Loa Loa (eye worm) hypothetical protein 0.0081 0.2081 0.8087
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0081 0.2081 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0905 0.1147
Loa Loa (eye worm) hypothetical protein 0.0072 0.1731 0.6727
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0905 0.1147
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0441 0.0375
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.1149 0.4327
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0107 0.3024 0.4668
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0441 0.0231
Toxoplasma gondii hypothetical protein 0.0028 0.0155 0.0236
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0155 0.0347
Loa Loa (eye worm) hypothetical protein 0.0026 0.0086 0.0334
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.2081 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0081 0.2081 1
Plasmodium falciparum phd finger protein, putative 0.003 0.0216 0.065
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.1149 0.1552
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0905 0.0705
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.2081 0.5
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0905 0.1147
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0081 0.2081 0.3101
Brugia malayi Melibiase family protein 0.0072 0.1731 0.6515
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.2081 0.6791
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2573 0.2409
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.2573 0.3919
Schistosoma mansoni peptidase Clp (S14 family) 0.0081 0.2081 0.1906
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0441 0.1716
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.1149 0.1552
Brugia malayi mbt repeat family protein 0.0049 0.0905 0.3408
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0086 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.2573 0.9686
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0086 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0072 0.1731 0.1549
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.2657 0.4058
Echinococcus multilocularis geminin 0.0173 0.5404 0.8625
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2573 0.2409
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0028 0.0155 0.0347
Loa Loa (eye worm) hypothetical protein 0.0051 0.0982 0.3817
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.2081 0.5
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0636 0.0698
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0081 0.2081 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0086 0.5
Brugia malayi Bromodomain containing protein 0.003 0.0216 0.0812
Plasmodium vivax hypothetical protein, conserved 0.003 0.0216 0.065
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0216 0.0442
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0196 0.6231 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2573 0.2409

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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