Detailed information for compound 796870

Basic information

Technical information
  • TDR Targets ID: 796870
  • Name: 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino ]-N-[4-(trifluoromethyl)phenyl]acetamide
  • MW: 457.286 | Formula: C14H12BrF3N2O3S2
  • H donors: 1 H acceptors: 3 LogP: 3.9 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(S(=O)(=O)c1ccc(s1)Br)CC(=O)Nc1ccc(cc1)C(F)(F)F
  • InChi: 1S/C14H12BrF3N2O3S2/c1-20(25(22,23)13-7-6-11(15)24-13)8-12(21)19-10-4-2-9(3-5-10)14(16,17)18/h2-7H,8H2,1H3,(H,19,21)
  • InChiKey: JUDXMZOJVVNMIS-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[(5-bromo-2-thienyl)sulfonyl-methyl-amino]-N-[4-(trifluoromethyl)phenyl]acetamide
  • 2-[(5-bromo-2-thienyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
  • 2-[(5-bromothiophen-2-yl)sulfonyl-methyl-amino]-N-[4-(trifluoromethyl)phenyl]ethanamide
  • EU-0058208

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
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0067 0.2644 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0074 0.3084 0.2927
Trypanosoma cruzi trypanothione reductase, putative 0.0193 1 1
Plasmodium falciparum thioredoxin reductase 0.0193 1 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0032 0.0586 0.0373
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0067 0.2644 0.2478
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0067 0.2644 0.0957
Echinococcus multilocularis glutamate receptor 2 0.0032 0.0586 0.0373
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0067 0.2644 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0032 0.0586 0.0373
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0067 0.2644 0.2478
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0032 0.0586 0.0373
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0067 0.2644 0.0957
Plasmodium vivax glutathione reductase, putative 0.0193 1 1
Schistosoma mansoni flap endonuclease-1 0.0023 0.0079 0.0079
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0067 0.2644 0.2478
Loa Loa (eye worm) hypothetical protein 0.0032 0.0582 0.0582
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0032 0.0586 0.0373
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0067 0.2644 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0067 0.2644 0.2478
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0032 0.0586 0.0373
Trichomonas vaginalis mercuric reductase, putative 0.0067 0.2644 1
Trypanosoma cruzi trypanothione reductase, putative 0.0067 0.2644 0.2478
Schistosoma mansoni glutamate receptor NMDA 0.0032 0.0586 0.0586
Echinococcus granulosus thioredoxin glutathione reductase 0.0193 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0067 0.2644 0.5
Toxoplasma gondii NADPH-glutathione reductase 0.0067 0.2644 0.2478
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0221 0.0221
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0067 0.2644 0.2478
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0067 0.2644 0.0957
Trichomonas vaginalis glutathione reductase, putative 0.0067 0.2644 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0067 0.2644 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0032 0.0582 0.0582
Brugia malayi Thioredoxin reductase 0.0193 1 1
Trypanosoma brucei trypanothione reductase 0.0193 1 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0067 0.2644 0.2478
Plasmodium falciparum glutathione reductase 0.0067 0.2644 0.2478
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0193 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0193 1 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0049 0.1609 0.1609
Treponema pallidum NADH oxidase 0.0067 0.2644 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0067 0.2644 0.2478
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0032 0.0582 0.0582
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0067 0.2644 0.2478
Plasmodium falciparum thioredoxin reductase 0.0067 0.2644 0.2478
Brugia malayi Flap endonuclease-1 0.0025 0.0221 0.0221
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0067 0.2644 0.2478
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0067 0.2644 0.2644
Loa Loa (eye worm) thioredoxin reductase 0.0193 1 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0067 0.2644 0.2478
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2644 0.2478
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2644 0.2478
Echinococcus granulosus nmda type glutamate receptor 0.0074 0.3084 0.2927
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2644 0.2478
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2644 0.2478
Loa Loa (eye worm) glutathione reductase 0.0193 1 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0049 0.1609 0.1609
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0067 0.2644 0.2478
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0067 0.2644 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0067 0.2644 0.2478
Brugia malayi Calcitonin receptor-like protein seb-1 0.0032 0.0582 0.0582
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0067 0.2644 0.2644
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0067 0.2644 0.2478
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0067 0.2644 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0074 0.3084 0.2927
Mycobacterium tuberculosis Probable oxidoreductase 0.0067 0.2644 0.0957
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0067 0.2644 0.2478
Echinococcus granulosus glutamate receptor 2 0.0032 0.0586 0.0373
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0221 0.5
Toxoplasma gondii thioredoxin reductase 0.0193 1 1
Plasmodium falciparum glutathione reductase 0.0193 1 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0067 0.2644 0.2478
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2644 0.2478
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0067 0.2644 0.2478
Leishmania major trypanothione reductase 0.0193 1 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0067 0.2644 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0032 0.0586 0.0373
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0067 0.2644 0.2478
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2644 0.2478
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0032 0.0586 0.0373
Plasmodium vivax thioredoxin reductase, putative 0.0193 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0032 0.0586 0.0373

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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