Detailed information for compound 1351141

Basic information

Technical information
  • TDR Targets ID: 1351141
  • Name: 3-(pyridine-3-carbonylamino)-1-[2-(trifluorom ethyl)phenyl]thiourea
  • MW: 340.324 | Formula: C14H11F3N4OS
  • H donors: 2 H acceptors: 2 LogP: 2.94 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: SC(=Nc1ccccc1C(F)(F)F)NNC(=O)c1cccnc1
  • InChi: 1S/C14H11F3N4OS/c15-14(16,17)10-5-1-2-6-11(10)19-13(23)21-20-12(22)9-4-3-7-18-8-9/h1-8H,(H,20,22)(H2,19,21,23)
  • InChiKey: OZPCIOGSFDQCFG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[oxo-(3-pyridyl)methyl]amino]-1-[2-(trifluoromethyl)phenyl]thiourea
  • 3-(pyridin-3-ylcarbonylamino)-1-[2-(trifluoromethyl)phenyl]thiourea
  • IVK/1639593
  • 2-(3-pyridinylcarbonyl)-N-[2-(trifluoromethyl)phenyl]hydrazinecarbothioamide
  • MLS000666372
  • SMR000294192
  • ZINC00609988

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
Plasmodium vivax hypothetical protein, conserved 0.0197 0 0.5
Schistosoma mansoni chromatin regulatory protein sir2 0.1024 1 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.055 0.4271 0.4271
Leishmania major silent information regulator 2, putative 0.1024 1 1
Schistosoma mansoni chromatin regulatory protein sir2 0.1024 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.1024 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.055 0.4271 0.4271
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.1024 1 1
Loa Loa (eye worm) hypothetical protein 0.0354 0.1894 0.1894
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.055 0.4271 0.4271
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0197 0 0.5
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.1024 1 1
Trypanosoma brucei Silent information regulator 2 related protein 1 0.1024 1 1
Mycobacterium ulcerans Sir2-like regulatory protein 0.0197 0 0.5
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.055 0.4271 0.4271
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.055 0.4271 0.4271
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.1024 1 1
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.055 0.4271 0.4271
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0197 0 0.5
Schistosoma mansoni chromatin regulatory protein sir2 0.1024 1 1
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.1024 1 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.1024 1 1
Schistosoma mansoni chromatin regulatory protein sir2 0.055 0.4271 0.4271
Loa Loa (eye worm) hypothetical protein 0.055 0.4271 0.4271
Toxoplasma gondii histone deacetylase SIR2-like 0.0197 0 0.5
Echinococcus granulosus chromatin regulatory protein sir2 0.1024 1 1
Echinococcus multilocularis chromatin regulatory protein sir2 0.1024 1 1
Giardia lamblia Hypothetical protein 0.1024 1 1
Plasmodium vivax NAD-dependent deacetylase, putative 0.0197 0 0.5
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.055 0.4271 0.4271
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.1024 1 1
Brugia malayi NAD-dependent deacetylase SIRT1 0.055 0.4271 0.4271
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.1024 1 1
Toxoplasma gondii histone deacetylase SIR2 0.0197 0 0.5
Loa Loa (eye worm) transcriptional regulator 0.1024 1 1
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0197 0 0.5
Mycobacterium ulcerans NAD-dependent deacetylase 0.0197 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 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) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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