Detailed information for compound 1436426

Basic information

Technical information
  • TDR Targets ID: 1436426
  • Name: 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-prop- 2-enylpiperazine
  • MW: 257.783 | Formula: C11H16ClN3S
  • H donors: 0 H acceptors: 1 LogP: 2.24 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCN1CCN(CC1)Cc1cnc(s1)Cl
  • InChi: 1S/C11H16ClN3S/c1-2-3-14-4-6-15(7-5-14)9-10-8-13-11(12)16-10/h2,8H,1,3-7,9H2
  • InChiKey: ALWBDIDUWDYQDZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-allyl-4-[(2-chlorothiazol-5-yl)methyl]piperazine
  • 1-allyl-4-[(2-chloro-5-thiazolyl)methyl]piperazine
  • 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-prop-2-enyl-piperazine
  • 1-allyl-4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazine
  • MLS000547312
  • SMR000180410
  • 3X-0823

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
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.1042 1
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0057 0.0048
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0096 0.1042 0.1374
Echinococcus granulosus importin subunit beta 1 0.0058 0.0576 0.0743
Schistosoma mansoni lamin 0.0027 0.0192 0.0182
Loa Loa (eye worm) hypothetical protein 0.0017 0.0071 0.0075
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0016 0.0057 0.0036
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1042 1
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0057 0.0036
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0043 0.0387 0.3676
Loa Loa (eye worm) hypothetical protein 0.0017 0.0071 0.0075
Loa Loa (eye worm) hypothetical protein 0.0062 0.0622 0.0812
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0596 0.0725
Trichomonas vaginalis conserved hypothetical protein 0.004 0.036 0.3415
Brugia malayi Ets-domain containing protein 0.0072 0.0751 0.1313
Entamoeba histolytica serine/threonine protein kinase, putative 0.0096 0.1042 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.036 0.3455
Trichomonas vaginalis importin beta-1, putative 0.0047 0.0441 0.4193
Loa Loa (eye worm) globin family protein 0.0017 0.0071 0.0075
Schistosoma mansoni myoglobin 1 0.0017 0.0071 0.0019
Brugia malayi hypothetical protein 0.0071 0.073 0.1275
Echinococcus granulosus ubiquitin specific protease 41 0.004 0.036 0.0454
Loa Loa (eye worm) globin family protein 0.0017 0.0071 0.0075
Brugia malayi Fli-1 protein 0.0219 0.2563 0.4652
Schistosoma mansoni hypothetical protein 0.0341 0.4062 0.5386
Echinococcus granulosus phd:f box containing protein 0.0016 0.0057 0.0048
Echinococcus granulosus geminin 0.0341 0.4062 0.5409
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.036 0.3415
Schistosoma mansoni ran 0.0043 0.0387 0.0444
Loa Loa (eye worm) fli-1 protein 0.0219 0.2563 0.3407
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0043 0.0387 0.6362
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0192 0.0237
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0043 0.0387 0.0498
Mycobacterium tuberculosis Toxin MazF3 0.0268 0.3168 1
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0057 0.0036
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0057 0.0036
Schistosoma mansoni ets-related 0.0219 0.2563 0.337
Schistosoma mansoni hypothetical protein 0.0341 0.4062 0.5386
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.004 0.036 0.0454
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1042 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.1328 0.1756
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0057 0.0048
Onchocerca volvulus 0.0027 0.0192 0.0225
Onchocerca volvulus Serine\/threonine kinase homolog 0.0096 0.1042 0.18
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0072 0.0751 0.0984
Entamoeba histolytica Ran family GTPase 0.0043 0.0387 0.3676
Loa Loa (eye worm) hypothetical protein 0.0026 0.0186 0.0229
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0057 0.0489
Brugia malayi Globin family protein 0.0017 0.0071 0.006
Mycobacterium tuberculosis Conserved protein 0.0268 0.3168 1
Brugia malayi jmjC domain containing protein 0.0016 0.0057 0.0034
Trichomonas vaginalis ran, putative 0.0043 0.0387 0.3676
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0016 0.0057 0.0548
Trypanosoma cruzi Vps23 core domain containing protein, putative 0.0023 0.0139 0.1281
Brugia malayi serine/threonine-protein kinase plk-2 0.0096 0.1042 0.185
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.0596 0.0577
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.0596 0.077
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0192 0.0237
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0047 0.0441 0.4193
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.0596 0.0577
Schistosoma mansoni jumonji domain containing protein 0.006 0.0596 0.0725
Brugia malayi jmjC domain containing protein 0.006 0.0596 0.1028
Brugia malayi Hypothetical 22.2 kDa protein C28F5.2 in chromosome II, putative 0.0017 0.0071 0.006
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.004 0.036 0.0407
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0096 0.1042 0.1367
Schistosoma mansoni globin X 0.0017 0.0071 0.0019
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0043 0.0387 0.3715
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0057 0.0036
Mycobacterium tuberculosis Toxin MazF9 0.0268 0.3168 1
Brugia malayi jmjC domain containing protein 0.0016 0.0057 0.0034
Schistosoma mansoni hypothetical protein 0.0017 0.0071 0.0019
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1042 1
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0446 0.4241
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0016 0.0057 0.0048
Loa Loa (eye worm) hypothetical protein 0.0016 0.0057 0.0056
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1042 1
Mycobacterium tuberculosis Possible toxin MazF5 0.0268 0.3168 1
Schistosoma mansoni ran 0.0043 0.0387 0.0444
Trypanosoma brucei polo-like protein kinase 0.0096 0.1042 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0096 0.1042 0.1023
Brugia malayi jmjC domain containing protein 0.0016 0.0057 0.0034
Onchocerca volvulus 0.0455 0.5464 1
Mycobacterium tuberculosis Possible toxin MazF7 0.0268 0.3168 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0038 0.0032
Echinococcus multilocularis musashi 0.0027 0.0192 0.0172
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.0596 0.077
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0048 0.0452 0.4306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0576 0.075
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 0.2707 0.36
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.1042 0.1325
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0057 0.0056
Brugia malayi RNA, U transporter 1 0.0165 0.1894 0.342
Trichomonas vaginalis hypothetical protein 0.0034 0.0284 0.2685
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0043 0.0387 0.6362
Mycobacterium tuberculosis Toxin MazF6 0.0268 0.3168 1
Echinococcus multilocularis snurportin 1 0.0619 0.7493 0.7487
Mycobacterium ulcerans hypothetical protein 0.0268 0.3168 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0057 0.0056
Loa Loa (eye worm) hypothetical protein 0.0017 0.0071 0.0075
Echinococcus multilocularis lamin dm0 0.0027 0.0192 0.0172
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0071 0.073 0.0711
Mycobacterium tuberculosis Toxin MazF2 0.0268 0.3168 1
Brugia malayi follicle stimulating hormone receptor 0.0231 0.2707 0.4919
Leishmania major adenylate cyclase-like protein 0.0017 0.0071 0.0142
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0192 0.0284
Trypanosoma brucei UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0012 0.0006 0.0061
Brugia malayi MH2 domain containing protein 0.0119 0.1328 0.2377
Brugia malayi Globin family protein 0.0017 0.0071 0.006
Schistosoma mansoni hypothetical protein 0.0619 0.7493 1
Leishmania major hypothetical protein, conserved 0.0023 0.0139 0.0832
Brugia malayi Importin beta-1 subunit 0.0058 0.0576 0.099
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1042 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0021 0.0008
Trypanosoma brucei Vps23 core domain containing protein, putative 0.0023 0.0139 0.1334
Schistosoma mansoni kinase 0.0049 0.0461 0.0544
Giardia lamblia Kinase, PLK 0.0096 0.1042 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0057 0.0489
Echinococcus multilocularis importin subunit beta 1 0.0058 0.0576 0.0556
Toxoplasma gondii HEAT repeat-containing protein 0.0058 0.0576 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0596 0.0725
Schistosoma mansoni gabp alpha 0.0072 0.0751 0.0933
Brugia malayi hypothetical protein 0.0017 0.0071 0.006
Schistosoma mansoni tsg101-related 0.0059 0.0585 0.071
Loa Loa (eye worm) hypothetical protein 0.0455 0.5464 0.7287
Echinococcus granulosus GTP binding nuclear protein Ran 0.0043 0.0387 0.049
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0071 0.073 0.095
Loa Loa (eye worm) hypothetical protein 0.0027 0.0192 0.0237
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.004 0.036 0.034
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1042 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0192 0.0229
Brugia malayi hypothetical protein 0.0455 0.5464 1
Echinococcus granulosus lamin dm0 0.0027 0.0192 0.0229
Loa Loa (eye worm) hypothetical protein 0.0017 0.0071 0.0075
Loa Loa (eye worm) hypothetical protein 0.0016 0.0057 0.0056
Mycobacterium tuberculosis Possible toxin MazF1 0.0268 0.3168 1
Brugia malayi jmjC domain containing protein 0.0016 0.0057 0.0034
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.1328 0.1756
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.036 0.3415
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0096 0.1042 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0619 0.7493 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0043 0.0387 0.0367
Echinococcus multilocularis ubiquitin specific protease 41 0.004 0.036 0.034
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.004 0.036 0.0407
Loa Loa (eye worm) hypothetical protein 0.0071 0.073 0.0957
Schistosoma mansoni tsg101-related 0.0048 0.0452 0.0532
Echinococcus multilocularis GA binding protein alpha chain 0.0072 0.0751 0.0732
Echinococcus multilocularis lamin 0.0027 0.0192 0.0172
Brugia malayi intermediate filament protein 0.0027 0.0192 0.0284
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0057 0.0048
Mycobacterium tuberculosis Possible toxin MazF4 0.0268 0.3168 1
Echinococcus multilocularis geminin 0.0341 0.4062 0.405
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.036 0.3415
Trypanosoma brucei importin beta-1 subunit, putative 0.0058 0.0576 0.5526
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.004 0.036 0.034
Echinococcus granulosus snurportin 1 0.0619 0.7493 1
Echinococcus granulosus lamin 0.0027 0.0192 0.0229
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0446 0.4241
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.036 0.3415
Echinococcus granulosus GA binding protein alpha chain 0.0072 0.0751 0.0977
Brugia malayi hypothetical protein 0.0017 0.0071 0.006
Brugia malayi hypothetical protein 0.0017 0.0071 0.006
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.004 0.036 0.0454
Loa Loa (eye worm) hypothetical protein 0.0016 0.0057 0.0056
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.004 0.036 0.3415
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0043 0.0387 0.0643
Schistosoma mansoni lamin 0.0027 0.0192 0.0182
Schistosoma mansoni intermediate filament proteins 0.0027 0.0192 0.0182
Plasmodium falciparum importin beta, putative 0.0058 0.0576 1
Entamoeba histolytica hypothetical protein 0.0047 0.0441 0.4193
Brugia malayi Ets-domain containing protein 0.0072 0.0751 0.1313
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.004 0.036 0.0593
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0043 0.0387 0.6362
Onchocerca volvulus 0.0027 0.0192 0.0225
Loa Loa (eye worm) hypothetical protein 0.0017 0.0071 0.0075
Brugia malayi jmjC domain containing protein 0.006 0.0596 0.1028
Trypanosoma cruzi importin beta-1 subunit, putative 0.0047 0.0441 0.4193
Leishmania major GTP-binding protein, putative 0.0043 0.0387 0.3351
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0047 0.0441 0.4193
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0043 0.0387 0.3676
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1042 1
Leishmania major importin beta-1 subunit, putative 0.0047 0.0441 0.3894
Loa Loa (eye worm) hypothetical protein 0.004 0.036 0.0462
Brugia malayi hypothetical protein 0.0017 0.0071 0.006
Trypanosoma brucei importin beta-1 subunit, putative 0.0058 0.0576 0.5526
Plasmodium vivax importin-beta 2, putative 0.0058 0.0576 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.1042 1
Schistosoma mansoni importin beta-1 0.0058 0.0576 0.0698
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0057 0.0056
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0596 0.0778
Brugia malayi Globin family protein 0.0017 0.0071 0.006
Schistosoma mansoni tsg101-related 0.0059 0.0585 0.071
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.004 0.036 0.3076
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0043 0.0387 0.0397
Loa Loa (eye worm) hypothetical protein 0.0017 0.0071 0.0075

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference

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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