Detailed information for compound 222315

Basic information

Technical information
  • TDR Targets ID: 222315
  • Name: N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlo ropyrimidine-4-carboxamide
  • MW: 404.095 | Formula: C13H5Cl2F6N3O
  • H donors: 1 H acceptors: 3 LogP: 5.06 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1nc(Cl)nc(c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
  • InChi: 1S/C13H5Cl2F6N3O/c14-9-4-8(23-11(15)24-9)10(25)22-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,22,25)
  • InChiKey: RIMUCSQPQWEABJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichloro-pyrimidine-4-carboxamide
  • N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichloro-4-pyrimidinecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens v-rel avian reticuloendotheliosis viral oncogene homolog A References
Homo sapiens jun proto-oncogene Starlite/ChEMBL References
Homo sapiens nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 Starlite/ChEMBL References
Homo sapiens nuclear factor of kappa light polypeptide gene enhancer in B-cells 2 (p49/p100) References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus multilocularis jun protein Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus granulosus Basic leucine zipper bZIP transcription factor Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus granulosus jun protein Get druggable targets OG5_131442 All targets in OG5_131442
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131442 All targets in OG5_131442
Brugia malayi bZIP transcription factor family protein Get druggable targets OG5_131442 All targets in OG5_131442
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 Eukaryotic initiation factor 4A-1 0.0155 0.2552 0.5
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0155 0.2552 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.0155 0.2552 0.1956
Brugia malayi eukaryotic initiation factor 4A 0.0155 0.2552 1
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0155 0.2552 0.1956
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0155 0.2552 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0155 0.2552 0.5
Brugia malayi bZIP transcription factor family protein 0.0101 0.0741 0.2904
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0155 0.2552 1
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0155 0.2552 0.1956
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0155 0.2552 0.5
Plasmodium falciparum eukaryotic initiation factor 4A 0.0155 0.2552 0.5
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0155 0.2552 0.5
Plasmodium vivax RNA helicase-1, putative 0.0155 0.2552 0.5
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0155 0.2552 0.5
Treponema pallidum ATP-dependent RNA helicase 0.0155 0.2552 0.5
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0155 0.2552 0.5
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0155 0.2552 0.5
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0155 0.2552 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0374 1 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0155 0.2552 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0155 0.2552 0.1956
Loa Loa (eye worm) hypothetical protein 0.0155 0.2552 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0155 0.2552 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0155 0.2552 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0155 0.2552 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10 uM Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells ChEMBL. 11052805
IC50 (binding) > 10 uM Concentration required to inhibit nuclear factor-kappa B) mediated transcriptional activation in human Jurkat T-cells. ChEMBL. 11052805
IC50 (binding) > 10 uM Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells ChEMBL. 11052805
IC50 (binding) > 10 uM Concentration required to inhibit nuclear factor-kappa B) mediated transcriptional activation in human Jurkat T-cells. ChEMBL. 11052805

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

1 literature reference was collected for this gene.

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