Detailed information for compound 801016

Basic information

Technical information
  • TDR Targets ID: 801016
  • Name: 3-[4-[(5E)-5-[(4-chlorophenyl)methylidene]-4- oxo-1,3-thiazol-2-yl]piperazin-1-yl]propaneni trile
  • MW: 360.861 | Formula: C17H17ClN4OS
  • H donors: 0 H acceptors: 2 LogP: 2.58 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCN1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(cc2)Cl)/S1
  • InChi: 1S/C17H17ClN4OS/c18-14-4-2-13(3-5-14)12-15-16(23)20-17(24-15)22-10-8-21(9-11-22)7-1-6-19/h2-5,12H,1,7-11H2/b15-12+
  • InChiKey: RZJQWLAJGQIBJC-NTCAYCPXSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[4-[(5E)-5-[(4-chlorophenyl)methylene]-4-oxo-thiazol-2-yl]piperazin-1-yl]propanenitrile
  • 3-[4-[(5E)-5-[(4-chlorophenyl)methylene]-4-oxo-2-thiazolyl]-1-piperazinyl]propanenitrile
  • 3-[4-[(5E)-5-(4-chlorobenzylidene)-4-keto-thiazol-2-yl]piperazin-1-yl]propionitrile
  • A2662/0113484
  • Propionitrile, 3-pyrrol4-[5-(4-chlorobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl]piperazin-1-ylmorpho-

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
Toxoplasma gondii heat shock protein HSP90 0.0046 0.1902 0.1902
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.1902 1
Plasmodium falciparum endoplasmin, putative 0.0034 0.1106 0.1106
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0043 0.1723 0.5
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Trypanosoma brucei heat shock protein, putative 0.0046 0.1902 1
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1158 0.3844
Trypanosoma cruzi heat shock protein 90, putative 0.004 0.1482 0.7795
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3012 0.3094
Trypanosoma brucei heat shock protein, putative 0.0046 0.1902 1
Echinococcus granulosus geminin 0.0171 0.9733 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0072 0.0238
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0017 0.0072 0.0074
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0017 0.0072 0.0074
Schistosoma mansoni heat shock protein 0.0046 0.1902 0.1954
Trypanosoma cruzi heat shock protein 85, putative 0.004 0.1482 0.7795
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3012 0.3094
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Brugia malayi nuclear hormone receptor 0.0017 0.0072 0.0238
Brugia malayi Hsp90 protein 0.0031 0.0928 0.3079
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0017 0.0072 0.0238
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0017 0.0072 0.0238
Loa Loa (eye worm) endoplasmin 0.0046 0.1902 0.6314
Schistosoma mansoni heat shock protein 0.0031 0.0928 0.0953
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0072 0.0074
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0072 0.0074
Trypanosoma cruzi heat shock protein 90, putative 0.0019 0.0214 0.1128
Loa Loa (eye worm) hypothetical protein 0.0017 0.0072 0.0238
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0043 0.1723 0.9062
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0017 0.0072 0.0238
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Giardia lamblia Grp94/Hsp90 0.0043 0.1723 0.5748
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0017 0.0072 0.0238
Loa Loa (eye worm) hypothetical protein 0.0017 0.0072 0.0238
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Entamoeba histolytica heat shock protein 90, putative 0.0046 0.1902 1
Trichomonas vaginalis heat shock protein, putative 0.0034 0.1106 0.345
Leishmania major heat shock protein, putative 0.0031 0.0928 0.4877
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0043 0.1723 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0072 0.0074
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0072 0.0238
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Trypanosoma cruzi heat shock protein 90, putative 0.0046 0.1902 1
Loa Loa (eye worm) hypothetical protein 0.005 0.2157 0.7162
Brugia malayi TAR-binding protein 0.0064 0.3012 1
Plasmodium vivax heat shock protein, putative 0.0175 1 1
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0017 0.0072 0.0074
Trichomonas vaginalis heat shock protein, putative 0.004 0.1482 0.655
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0017 0.0072 0.0074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0017 0.0072 0.0238
Trypanosoma brucei heat shock protein, putative 0.0046 0.1902 1
Echinococcus granulosus FTZ F1 alpha 0.0017 0.0072 0.0074
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0072 0.0238
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1158 0.3844
Loa Loa (eye worm) TAR-binding protein 0.0064 0.3012 1
Loa Loa (eye worm) RNA binding protein 0.0064 0.3012 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0017 0.0072 0.0238
Trichomonas vaginalis heat shock protein, putative 0.0043 0.1723 0.8533
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.004 0.1482 0.1523
Brugia malayi nuclear receptor NHR-88 0.0017 0.0072 0.0238
Trypanosoma brucei heat shock protein, putative 0.0046 0.1902 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0046 0.1902 1
Schistosoma mansoni RAR-like nuclear receptor 0.0017 0.0072 0.0074
Echinococcus multilocularis heat shock protein 0.0046 0.1902 0.1954
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0017 0.0072 0.0238
Schistosoma mansoni heat shock protein 0.0046 0.1902 0.1954
Toxoplasma gondii heat shock protein 75, putative 0.0031 0.0928 0.0928
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2157 0.7162
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0017 0.0072 0.0238
Echinococcus multilocularis endoplasmin 0.0043 0.1723 0.1771
Schistosoma mansoni thyroid hormone receptor 0.0017 0.0072 0.0074
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.3012 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0017 0.0072 0.0074
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Trypanosoma brucei heat shock protein, putative 0.0046 0.1902 1
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.1902 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3012 0.3094
Loa Loa (eye worm) heat shock protein 90 0.0046 0.1902 0.6314
Echinococcus granulosus endoplasmin 0.0043 0.1723 0.1771
Trypanosoma brucei heat shock protein, putative 0.0046 0.1902 1
Schistosoma mansoni hypothetical protein 0.0034 0.1158 0.119
Brugia malayi Steroid receptor seven-up type 2 0.0017 0.0072 0.0238
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0017 0.0072 0.0238
Trypanosoma brucei heat shock protein, putative 0.0046 0.1902 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0017 0.0072 0.0238
Trypanosoma cruzi heat shock protein, putative 0.0031 0.0928 0.4877
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0017 0.0072 0.0238
Brugia malayi photoreceptor-specific nuclear receptor 0.0017 0.0072 0.0238
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0072 0.0074
Echinococcus multilocularis ecdysone induced protein 78C 0.0017 0.0072 0.0074
Brugia malayi ecdysteroid receptor 0.0017 0.0072 0.0238
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0072 0.0074
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Plasmodium falciparum heat shock protein 90 0.0046 0.1902 0.1902
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0017 0.0072 0.0074
Trichomonas vaginalis heat shock protein, putative 0.0046 0.1902 1
Schistosoma mansoni retinoic acid receptor RXR 0.0017 0.0072 0.0074
Plasmodium vivax endoplasmin, putative 0.0046 0.1902 0.1902
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0017 0.0072 0.0074
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0017 0.0072 0.0238
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0031 0.0928 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2157 0.7162
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0017 0.0072 0.0074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0017 0.0072 0.0238
Loa Loa (eye worm) heat shock protein 75 0.0031 0.0928 0.3079
Trypanosoma brucei heat shock protein 90, putative 0.0046 0.1902 1
Plasmodium falciparum heat shock protein 90, putative 0.0027 0.0686 0.0686
Loa Loa (eye worm) hypothetical protein 0.0017 0.0072 0.0238
Loa Loa (eye worm) hypothetical protein 0.0017 0.0072 0.0238
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0017 0.0072 0.0238
Toxoplasma gondii Hsp90 domain-containing protein 0.0175 1 1
Plasmodium vivax heat shock protein 86, putative 0.0046 0.1902 0.1902
Brugia malayi RNA binding protein 0.0064 0.3012 1
Schistosoma mansoni endoplasmin 0.0046 0.1902 0.1954
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0017 0.0072 0.0074
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2157 0.7162
Schistosoma mansoni endoplasmin 0.0046 0.1902 0.1954
Echinococcus granulosus tar DNA binding protein 0.0064 0.3012 0.3094
Schistosoma mansoni coup transcription factor 0.0017 0.0072 0.0074
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0031 0.0928 0.0953
Brugia malayi heat shock protein 90 0.0046 0.1902 0.6314
Schistosoma mansoni steroid hormone receptor ad4bp 0.0017 0.0072 0.0074
Echinococcus multilocularis tar DNA binding protein 0.0064 0.3012 0.3094
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Treponema pallidum heat shock protein 90 0.0043 0.1723 0.5
Echinococcus multilocularis geminin 0.0171 0.9733 1
Echinococcus multilocularis heat shock protein 90 0.0046 0.1902 0.1954
Loa Loa (eye worm) hypothetical protein 0.0017 0.0072 0.0238
Trichomonas vaginalis endoplasmin, putative 0.0034 0.1106 0.345
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0031 0.0928 0.0953
Echinococcus granulosus heat shock protein 90 0.004 0.1482 0.1523
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0017 0.0072 0.0238
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0017 0.0072 0.0074
Echinococcus granulosus ecdysone induced protein 78C 0.0017 0.0072 0.0074
Entamoeba histolytica heat shock protein 90, putative 0.0046 0.1902 1
Plasmodium vivax heat shock protein 90, putative 0.0031 0.0928 0.0928
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.3012 1
Echinococcus granulosus heat shock protein 0.0046 0.1902 0.1954
Schistosoma mansoni hypothetical protein 0.0171 0.9733 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3012 0.3094
Loa Loa (eye worm) hypothetical protein 0.0017 0.0072 0.0238
Toxoplasma gondii heat shock protein 90, putative 0.0046 0.1902 0.1902
Schistosoma mansoni thyroid hormone receptor 0.0017 0.0072 0.0074
Trypanosoma brucei heat shock protein 90, putative 0.0046 0.1902 1
Trichomonas vaginalis heat shock protein, putative 0.0043 0.1723 0.8533
Leishmania major heat shock protein 83-1 0.0046 0.1902 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0043 0.1723 1
Mycobacterium ulcerans heat shock protein 90 0.0043 0.1723 0.5
Trypanosoma brucei Heat shock protein 83, putative 0.0046 0.1902 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0017 0.0072 0.0238
Echinococcus multilocularis FTZ F1 alpha 0.0017 0.0072 0.0074
Loa Loa (eye worm) steroid hormone receptor 0.0017 0.0072 0.0238
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0017 0.0072 0.0074
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0017 0.0072 0.0074
Trypanosoma brucei heat shock protein, putative 0.0046 0.1902 1
Echinococcus granulosus heat shock protein 90 0.0046 0.1902 0.1954
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3012 0.3094
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0017 0.0072 0.0238
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0017 0.0072 0.0238
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0017 0.0072 0.0074
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0017 0.0072 0.0238
Echinococcus multilocularis heat shock protein 90 0.004 0.1482 0.1523
Trypanosoma brucei heat shock protein 84, putative 0.0031 0.0928 0.4877
Trypanosoma cruzi Heat shock protein 83, putative 0.0046 0.1902 1
Brugia malayi Endoplasmin precursor 0.0046 0.1902 0.6314
Schistosoma mansoni hypothetical protein 0.0171 0.9733 1
Brugia malayi steroid hormone receptor 0.0017 0.0072 0.0238
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0017 0.0072 0.0074
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0017 0.0072 0.0074
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0072 0.0074
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.1902 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0017 0.0072 0.0238

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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