Detailed information for compound 1376651

Basic information

Technical information
  • TDR Targets ID: 1376651
  • Name: 3-chloro-5-(trifluoromethyl)pyridine-2-carbot hioamide
  • MW: 240.633 | Formula: C7H4ClF3N2S
  • H donors: 1 H acceptors: 1 LogP: 2.17 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=S)c1ncc(cc1Cl)C(F)(F)F
  • InChi: 1S/C7H4ClF3N2S/c8-4-1-3(7(9,10)11)2-13-5(4)6(12)14/h1-2H,(H2,12,14)
  • InChiKey: CPVWNBFVUZXXRY-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-chloro-5-(trifluoromethyl)-2-pyridinecarbothioamide
  • 3-chloro-5-(trifluoromethyl)thiopicolinamide
  • SR-01000636139-1
  • SPB 05587
  • Maybridge1_008892
  • MLS000834989
  • SMR000461605
  • ZINC00124300

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

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
Brugia malayi proteasome subunit beta type 2 0.0043 0.1681 0.1681
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0043 0.1681 0.1681
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0066 0.3424 0.3424
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0043 0.1681 0.1681
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0043 0.1681 0.1681
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0066 0.3424 0.3424
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0152 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.074 0.074
Giardia lamblia Proteasome subunit beta type 1 0.0066 0.3424 0.3424
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.074 0.074
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0043 0.1681 0.1681
Brugia malayi hypothetical protein 0.003 0.074 0.074
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0066 0.3424 0.3424
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.074 0.074
Trypanosoma cruzi 20S proteasome subunit 0.0043 0.1681 0.1681
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0152 1 1
Leishmania major hypothetical protein, conserved 0.003 0.074 0.074
Brugia malayi proteasome subunit beta type 1 0.0066 0.3424 0.3424
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0066 0.3424 0.3424
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0066 0.3424 0.3424
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0066 0.3424 0.3424
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0043 0.1681 0.1681
Plasmodium vivax proteasome subunit beta type-2, putative 0.0043 0.1681 0.1681
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0066 0.3424 0.3424
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.074 0.074
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.074 0.074
Loa Loa (eye worm) hypothetical protein 0.003 0.074 0.074
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.074 0.074
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0043 0.1681 0.1681
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0066 0.3424 0.3424
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0043 0.1681 0.1681
Loa Loa (eye worm) proteasome subunit beta type 2 0.0043 0.1681 0.1681
Loa Loa (eye worm) proteasome subunit beta type 1 0.0066 0.3424 0.3424
Leishmania major proteasome beta 5 subunit, putative 0.0152 1 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0152 1 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.0152 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0152 1 1
Trypanosoma brucei proteasome beta 6 subunit 0.0066 0.3424 0.3424
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0043 0.1681 0.1681
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0043 0.1681 0.1681
Plasmodium vivax proteasome subunit beta type-1, putative 0.0066 0.3424 0.3424
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0152 1 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0152 1 1
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0066 0.3424 0.3424
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0152 1 1
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0066 0.3424 0.3424
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0152 1 1
Onchocerca volvulus Notchless protein homolog 0.0021 0 0.5
Giardia lamblia Proteasome subunit beta type 2 0.0043 0.1681 0.1681
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.074 0.074
Echinococcus multilocularis proteasome (prosome, macropain) 0.0152 1 1
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0043 0.1681 0.1681
Mycobacterium ulcerans proteasome PrcB 0.0152 1 1
Plasmodium falciparum proteasome subunit beta type-5 0.0152 1 1
Leishmania major proteasome beta 2 subunit, putative 0.0043 0.1681 0.1681
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0021 0 0.5
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0043 0.1681 0.1681
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0152 1 1
Echinococcus granulosus proteasome prosome macropain 0.0152 1 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0152 1 1
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0152 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2993 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 100 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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