Detailed information for compound 1237075

Basic information

Technical information
  • TDR Targets ID: 1237075
  • Name: N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]- 3-(trifluoromethyl)benzamide
  • MW: 377.383 | Formula: C18H14F3N3OS
  • H donors: 1 H acceptors: 3 LogP: 3.7 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc(c1)C(F)(F)F)NCCc1csc(n1)c1cccnc1
  • InChi: 1S/C18H14F3N3OS/c19-18(20,21)14-5-1-3-12(9-14)16(25)23-8-6-15-11-26-17(24-15)13-4-2-7-22-10-13/h1-5,7,9-11H,6,8H2,(H,23,25)
  • InChiKey: CYZPDDPFTVFMRG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[2-(3-pyridyl)thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
  • N-[2-[2-(3-pyridyl)-4-thiazolyl]ethyl]-3-(trifluoromethyl)benzamide
  • ZINC04167025
  • G856-3298
  • NCGC00136073-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0587 0.0916
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.4618 0.7204
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.4166 0.6498
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.6411 0.6187
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.4618 0.7204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.238 0.3713
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.6411 0.6187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.2833 0.4418
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.3337 0.5205
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.4166 0.5
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.4626 0.6934
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.4626 0.6934
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.4166 0.6498
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.4166 0.6498
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0587 0.0916
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.4166 0.6498
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.6411 0.6187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0587 0.0916
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.1793 0.207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0587 0.0916
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.513 0.8002
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.2885 0.4499
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0023 0.1288 0.1204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.2885 0.4499
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2373 0.3702
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.6411 0.6187
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.4166 0.6498
Giardia lamblia GTOR 0.0054 0.6411 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.4618 0.7204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.4618 0.7204
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.4166 0.6498
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.6411 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.6411 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.238 0.3713
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.4626 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2373 0.3702
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.4166 0.6498
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.6411 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.6411 0.5
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.6411 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.6411 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.238 0.3713
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.2885 0.4499
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2373 0.3702
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.2833 0.4418
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.6411 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.238 0.3713
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.6411 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.6411 1
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.6411 0.6187
Brugia malayi TAR-binding protein 0.0076 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.6411 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.4618 0.7204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.3527 0.5501
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0587 0.0916
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.6411 1

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 5.8479 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) 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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