Detailed information for compound 880506

Basic information

Technical information
  • TDR Targets ID: 880506
  • Name: N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl ]-4-iodobenzenesulfonamide
  • MW: 459.198 | Formula: C14H10F4INO2S
  • H donors: 1 H acceptors: 2 LogP: 4.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cc(CNS(=O)(=O)c2ccc(cc2)I)cc(c1)C(F)(F)F
  • InChi: 1S/C14H10F4INO2S/c15-11-6-9(5-10(7-11)14(16,17)18)8-20-23(21,22)13-3-1-12(19)2-4-13/h1-7,20H,8H2
  • InChiKey: OBQOJYNGJFYOFC-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-iodo-benzenesulfonamide
  • N-[3-fluoro-5-(trifluoromethyl)benzyl]-4-iodo-benzenesulfonamide

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
Schistosoma mansoni hypothetical protein 0.0042 0.0309 0.0715
Mycobacterium leprae Conserved hypothetical protein 0.0021 0 0.5
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0719 1 1
Entamoeba histolytica hypothetical protein 0.0042 0.0309 0.5
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.0184 0.2342 0.2342
Echinococcus multilocularis Squalene phytoene synthase 0.0184 0.2342 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0719 1 1
Echinococcus granulosus Squalene phytoene synthase 0.0184 0.2342 1
Plasmodium vivax vacuolar-type H+ pumping pyrophosphatase, putative 0.0396 0.5372 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0719 1 1
Leishmania major vacuolar-type proton translocating pyrophosphatase 1, putative 0.0396 0.5372 0.5372
Plasmodium vivax V-type H(+)-translocating pyrophosphatase, putative 0.0396 0.5372 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0031 0.0148 0.0148
Entamoeba histolytica hypothetical protein 0.0042 0.0309 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0031 0.0148 0.0148
Toxoplasma gondii V-type H(+)-translocating pyrophosphatase VP1 0.0396 0.5372 1
Brugia malayi Cytochrome P450 family protein 0.0031 0.0148 0.4792
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0031 0.0148 0.0148
Trypanosoma brucei squalene synthase, putative 0.0592 0.8176 0.8148
Mycobacterium leprae putative cytochrome p450 0.0021 0 0.5
Schistosoma mansoni hypothetical protein 0.0323 0.4325 1
Loa Loa (eye worm) CYP4Cod1 0.0031 0.0148 0.0632
Entamoeba histolytica hypothetical protein 0.0042 0.0309 0.5
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.0184 0.2342 0.5
Trypanosoma brucei Pyrophosphate-energized vacuolar membrane proton pump 1 0.0396 0.5372 0.5303
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.0148 0.0632
Trypanosoma brucei RNA helicase, putative 0.0323 0.4325 0.424
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0719 1 1
Brugia malayi hypothetical protein 0.0042 0.0309 1
Trypanosoma cruzi vacuolar-type proton translocating pyrophosphatase 1 0.0396 0.5372 0.5372
Brugia malayi Cytochrome P450 family protein 0.0031 0.0148 0.4792
Loa Loa (eye worm) hypothetical protein 0.0184 0.2342 1
Leishmania major squalene synthase, putative 0.0592 0.8176 0.8176
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0309 0.0715
Trypanosoma cruzi phytoene synthase, putative 0.0184 0.2342 0.2342
Mycobacterium ulcerans phytoene synthase, CrtB 0.0184 0.2342 0.2342
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0719 1 1
Trypanosoma cruzi squalene synthase, putative 0.0592 0.8176 0.8176
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0309 0.132
Trypanosoma brucei Pyrophosphate-energized vacuolar membrane proton pump 2, putative 0.0396 0.5372 0.5303
Plasmodium falciparum V-type K+-independent H+-translocating inorganic pyrophosphatase 0.0396 0.5372 0.5
Plasmodium falciparum V-type H(+)-translocating pyrophosphatase, putative 0.0396 0.5372 0.5
Leishmania major cytochrome p450-like protein 0.0031 0.0148 0.0148
Trypanosoma cruzi squalene synthase, putative 0.0592 0.8176 0.8176
Schistosoma mansoni hypothetical protein 0.0184 0.2342 0.5416
Trypanosoma cruzi Vacuolar proton pyrophosphatase 1, putative 0.0396 0.5372 0.5372
Leishmania major hypothetical protein, conserved 0.0184 0.2342 0.2342
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.0148 0.0632
Entamoeba histolytica hypothetical protein 0.0042 0.0309 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0309 0.132

Activities

No activities found for this compound.

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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