Detailed information for compound 1445083

Basic information

Technical information
  • TDR Targets ID: 1445083
  • Name: N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol- 2-yl]phenyl]-3-(trifluoromethyl)benzamide
  • MW: 465.467 | Formula: C26H22F3N3O2
  • H donors: 1 H acceptors: 3 LogP: 6.47 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc(c1)C(F)(F)F)Nc1ccccc1c1nnc(o1)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C26H22F3N3O2/c1-25(2,3)18-13-11-16(12-14-18)23-31-32-24(34-23)20-9-4-5-10-21(20)30-22(33)17-7-6-8-19(15-17)26(27,28)29/h4-15H,1-3H3,(H,30,33)
  • InChiKey: UMNMKJMZMQNRLI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • A3839/0163023
  • NCGC00102852-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
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
Echinococcus multilocularis cyclin dependent kinase 1 0.0883 0.1579 0.157
Brugia malayi Protein kinase domain containing protein 0.1807 0.3411 0.7252
Loa Loa (eye worm) hypothetical protein 0.5131 1 1
Echinococcus multilocularis tumor protein p63 0.0408 0.0637 0.0627
Brugia malayi hypothetical protein 0.2456 0.4698 1
Echinococcus granulosus epidermal growth factor receptor 0.016 0.0145 0.0128
Echinococcus multilocularis cyclin dependent kinase 0.0883 0.1579 0.157
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.1807 0.3411 0.3411
Echinococcus multilocularis dual specificity 0.1807 0.3411 0.3404
Entamoeba histolytica protein kinase domain containing protein 0.1807 0.3411 1
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.117 0.2148 0.3104
Loa Loa (eye worm) hypothetical protein 0.2456 0.4698 0.4698
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0883 0.1579 0.1579
Brugia malayi Protein kinase domain containing protein 0.117 0.2148 0.4553
Leishmania major protein kinase, putative 0.117 0.2148 0.6275
Echinococcus granulosus tumor protein p63 0.0408 0.0637 0.0622
Schistosoma mansoni tyrosine kinase 0.016 0.0145 0.0128
Echinococcus granulosus cyclin dependent kinase 1 0.0883 0.1579 0.1565
Leishmania major protein kinase, putative 0.117 0.2148 0.6275
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.5131 1 1
Schistosoma mansoni serine/threonine protein kinase 0.117 0.2148 0.2135
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.117 0.2148 0.3104
Schistosoma mansoni tyrosine kinase 0.0158 0.0142 0.0125
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0883 0.1579 0.1565
Schistosoma mansoni tyrosine kinase 0.016 0.0145 0.0128
Loa Loa (eye worm) hypothetical protein 0.178 0.3357 0.3357
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.117 0.2148 0.3104
Brugia malayi cell division control protein 2 homolog 0.0883 0.1579 0.3338
Brugia malayi Delta5 fatty acid desaturase 0.0096 0.0019 0.0005
Entamoeba histolytica protein kinase, putative 0.1807 0.3411 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.117 0.2148 0.3104
Entamoeba histolytica protein kinase, putative 0.1807 0.3411 1
Loa Loa (eye worm) FAT-3 protein 0.0096 0.0019 0.0019
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.1807 0.3411 1
Schistosoma mansoni serine/threonine protein kinase 0.0883 0.1579 0.1565
Echinococcus granulosus dual specificity protein kinase clk2 0.117 0.2148 0.2135
Entamoeba histolytica hypothetical protein 0.1807 0.3411 1
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0883 0.1579 0.4599
Plasmodium falciparum protein serine/threonine kinase-1 0.117 0.2148 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0095 0.0017 0.0006
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0883 0.1579 0.4599
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.016 0.0145 0.0128
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0883 0.1579 0.1579
Loa Loa (eye worm) hypothetical protein 0.2456 0.4698 0.4698
Echinococcus multilocularis insulin receptor 0.0095 0.0017 0.0006
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.1807 0.3411 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0297 0.0418 0.0418
Schistosoma mansoni tyrosine kinase 0.0297 0.0418 0.0401
Loa Loa (eye worm) hypothetical protein 0.0856 0.1525 0.1525
Echinococcus multilocularis cyclin dependent kinase 5 0.0883 0.1579 0.157
Loa Loa (eye worm) hypothetical protein 0.1143 0.2094 0.2094
Echinococcus granulosus epidermal growth factor receptor 0.0297 0.0418 0.0401
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.1807 0.3411 1
Echinococcus multilocularis epidermal growth factor receptor 0.0297 0.0418 0.0407
Schistosoma mansoni serine/threonine protein kinase 0.117 0.2148 0.2135
Brugia malayi Protein kinase domain containing protein 0.0883 0.1579 0.3338
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0883 0.1579 0.1579
Echinococcus granulosus dual specificity 0.1807 0.3411 0.34
Echinococcus granulosus cyclin dependent kinase 0.0883 0.1579 0.1565
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.117 0.2148 1
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.5131 1 1
Plasmodium vivax serine/threonine kinase-1, putative 0.117 0.2148 1
Brugia malayi Furin-like cysteine rich region family protein 0.0297 0.0418 0.0856
Echinococcus granulosus cyclin dependent kinase 5 0.0883 0.1579 0.1565
Loa Loa (eye worm) CMGC/CLK protein kinase 0.117 0.2148 0.2148
Schistosoma mansoni fatty acid desaturase 0.0096 0.002 0.0003
Loa Loa (eye worm) hypothetical protein 0.178 0.3357 0.3357
Giardia lamblia Kinase, CMGC CLK 0.117 0.2148 1
Echinococcus granulosus hypothetical protein 0.1143 0.2094 0.2081
Echinococcus multilocularis dual specificity protein kinase clk2 0.117 0.2148 0.2139
Loa Loa (eye worm) TK/INSR protein kinase 0.0095 0.0017 0.0017
Echinococcus multilocularis 0.1143 0.2094 0.2085
Schistosoma mansoni tyrosine kinase 0.0158 0.0142 0.0125
Schistosoma mansoni tyrosine kinase 0.0158 0.0142 0.0125
Echinococcus multilocularis cyclin dependent kinase 1 0.0883 0.1579 0.157
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.117 0.2148 0.3104
Loa Loa (eye worm) hypothetical protein 0.0096 0.0019 0.0019
Echinococcus multilocularis epidermal growth factor receptor 0.016 0.0145 0.0134
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.1807 0.3411 1
Trichomonas vaginalis CMGC family protein kinase 0.117 0.2148 1
Onchocerca volvulus 0.0096 0.002 0.5
Schistosoma mansoni serine/threonine protein kinase 0.1807 0.3411 0.34
Schistosoma mansoni serine/threonine protein kinase 0.0883 0.1579 0.1565
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.117 0.2148 0.3104

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (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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