Detailed information for compound 684327

Basic information

Technical information
  • TDR Targets ID: 684327
  • Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(3- nitrophenyl)methyl]-2-oxopyridine-3-carboxami de
  • MW: 435.329 | Formula: C20H13F4N3O4
  • H donors: 1 H acceptors: 4 LogP: 3.74 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1C(F)(F)F)NC(=O)c1cccn(c1=O)Cc1cccc(c1)[N+](=O)[O-]
  • InChi: 1S/C20H13F4N3O4/c21-17-7-6-13(10-16(17)20(22,23)24)25-18(28)15-5-2-8-26(19(15)29)11-12-3-1-4-14(9-12)27(30)31/h1-10H,11H2,(H,25,28)
  • InChiKey: IWFVUZDMBOYYRG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(3-nitrophenyl)methyl]-2-oxo-pyridine-3-carboxamide
  • N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(3-nitrophenyl)methyl]-2-oxo-3-pyridinecarboxamide
  • N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-keto-1-(3-nitrobenzyl)nicotinamide

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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.2925 1
Schistosoma mansoni hypothetical protein 0.0036 0.1191 0.1191
Schistosoma mansoni tar DNA-binding protein 0.0073 0.353 0.353
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0197 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.2218 0.6283
Echinococcus multilocularis tar DNA binding protein 0.0073 0.353 0.353
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0197 0.0197
Echinococcus multilocularis geminin 0.0177 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.353 1
Brugia malayi TAR-binding protein 0.0073 0.353 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0197 0.5
Echinococcus granulosus tar DNA binding protein 0.0073 0.353 0.353
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0197 0.5
Schistosoma mansoni tar DNA-binding protein 0.0073 0.353 0.353
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0197 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.2925 0.2925
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0197 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.2925 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.353 0.353
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.2925 0.2925
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.2218 0.6283
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.353 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0197 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.2218 0.6283
Schistosoma mansoni hypothetical protein 0.0177 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0197 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.2925 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.353 0.353
Schistosoma mansoni hypothetical protein 0.0177 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0197 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.2925 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0197 0.5
Schistosoma mansoni ap endonuclease 0.002 0.0197 0.0197
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0197 0.0559
Schistosoma mansoni tar DNA-binding protein 0.0073 0.353 0.353
Brugia malayi RNA binding protein 0.0073 0.353 1
Schistosoma mansoni ap endonuclease 0.002 0.0197 0.0197
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0197 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.2218 0.6283
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0197 0.0197
Loa Loa (eye worm) RNA binding protein 0.0073 0.353 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.1191 0.3375
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0197 0.5
Loa Loa (eye worm) TAR-binding protein 0.0073 0.353 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.2925 0.2925
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0197 0.0559
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.1191 0.3375
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.2925 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.2925 0.2925
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.2925 1

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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