Detailed information for compound 504812

Basic information

Technical information
  • TDR Targets ID: 504812
  • Name: N-[2-[(E)-[2,4-bis(trifluoromethyl)phenyl]met hoxyiminomethyl]-4-chlorophenyl]-1,1,1-triflu oromethanesulfonamide
  • MW: 528.777 | Formula: C17H10ClF9N2O3S
  • H donors: 1 H acceptors: 2 LogP: 6.03 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(c(c1)/C=N/OCc1ccc(cc1C(F)(F)F)C(F)(F)F)NS(=O)(=O)C(F)(F)F
  • InChi: 1S/C17H10ClF9N2O3S/c18-12-3-4-14(29-33(30,31)17(25,26)27)10(5-12)7-28-32-8-9-1-2-11(15(19,20)21)6-13(9)16(22,23)24/h1-7,29H,8H2/b28-7+
  • InChiKey: VQSCOGKBMSFYKG-WBSLIQCRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[(E)-[2,4-bis(trifluoromethyl)phenyl]methoxyiminomethyl]-4-chloro-phenyl]-1,1,1-trifluoro-methanesulfonamide
  • N-[2-[(E)-[2,4-bis(trifluoromethyl)benzyl]oximinomethyl]-4-chloro-phenyl]-1,1,1-trifluoro-methanesulfonamide

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 SET domain protein, putative 0.0029 0 0.5
Trichomonas vaginalis set domain proteins, putative 0.0234 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.2503 0.2907
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.8611 1
Brugia malayi hypothetical protein 0.0065 0.1743 0.2025
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.1747 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1747 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1747 0.5
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.1747 0.4105
Schistosoma mansoni lipoxygenase 0.0117 0.4255 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.1747 0.2028
Echinococcus granulosus jun protein 0.0083 0.2614 0.6144
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1747 0.5
Echinococcus multilocularis jun protein 0.0083 0.2614 0.6144
Schistosoma mansoni hypothetical protein 0.0067 0.1855 0.4358
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.1747 0.4105
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.1747 0.4105
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0404 0.0949
Schistosoma mansoni lipoxygenase 0.0081 0.2541 0.5971
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0083 0.2614 0.6144
Schistosoma mansoni jun-related protein 0.0067 0.1855 0.4358
Brugia malayi bZIP transcription factor family protein 0.0083 0.2614 0.3036
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.1747 0.2028
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.1747 0.5
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0404 0.0949
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0083 0.2614 0.6144
Brugia malayi Pre-SET motif family protein 0.0206 0.8611 1
Onchocerca volvulus 0.0065 0.1743 0.1743
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0117 0.4255 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0117 0.4255 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 10 % Parasiticidal activity against Ctenocephalides felis after 8 hrs by cat flea assay ChEMBL. 18006308
LD99 (functional) = 0.59 uM Parasiticidal activity against Haemonchus contortus by larval assay ChEMBL. 18006308

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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