Detailed information for compound 1145458

Basic information

Technical information
  • TDR Targets ID: 1145458
  • Name: 4-[(4-phenyl-2,6-dipropylpyridin-1-ium-1-yl)m ethyl]benzenesulfonamide
  • MW: 409.564 | Formula: C24H29N2O2S+
  • H donors: 1 H acceptors: 2 LogP: 5.15 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1cc(cc([n+]1Cc1ccc(cc1)S(=O)(=O)N)CCC)c1ccccc1
  • InChi: 1S/C24H29N2O2S/c1-3-8-22-16-21(20-10-6-5-7-11-20)17-23(9-4-2)26(22)18-19-12-14-24(15-13-19)29(25,27)28/h5-7,10-17H,3-4,8-9,18H2,1-2H3,(H2,25,27,28)/q+1
  • InChiKey: WREWMEUBGSOQIP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(4-phenyl-2,6-dipropyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide
  • 4-[(4-phenyl-2,6-dipropyl-1-pyridin-1-iumyl)methyl]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
Entamoeba histolytica glutamate synthase beta subunit, putative 0.007 0.0209 0.5
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.007 0.0209 0.0121
Echinococcus multilocularis smad 0.0044 0.01 0.0137
Loa Loa (eye worm) transcription factor SMAD2 0.0643 0.2573 0.8385
Brugia malayi MH2 domain containing protein 0.0044 0.01 0.0326
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.007 0.0209 0.0304
Loa Loa (eye worm) Smad1 0.0044 0.01 0.0326
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.003 0.0041 0.0056
Brugia malayi MH1 domain containing protein 0.0024 0.0019 0.0063
Plasmodium vivax glutathione reductase, putative 0.0763 0.3069 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0265 0.1011 0.2891
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.007 0.0209 0.0681
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0044 0.01 0.01
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.1742 0.7103 0.8958
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0265 0.1011 0.2891
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0265 0.1011 1
Brugia malayi MH1 domain containing protein 0.0024 0.0019 0.0063
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.0174 0.0185
Echinococcus granulosus mothers against decapentaplegic 5 0.0044 0.01 0.0137
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.007 0.0209 0.0121
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0265 0.1011 0.3022
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0265 0.1011 0.2803
Echinococcus granulosus lamin 0.0061 0.0172 0.0236
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0061 0.0172 0.056
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0265 0.1011 0.3022
Echinococcus granulosus tumor protein p63 0.1783 0.7274 1
Plasmodium falciparum glutathione reductase 0.0265 0.1011 0.2803
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.007 0.0209 0.5
Trypanosoma cruzi NADH dehydrogenase, putative 0.007 0.0209 0.0304
Brugia malayi MH1 domain containing protein 0.0044 0.01 0.0326
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.007 0.0209 0.0304
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0265 0.1011 0.1389
Plasmodium vivax thioredoxin reductase, putative 0.0763 0.3069 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0265 0.1011 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0265 0.1011 0.2803
Loa Loa (eye worm) MH1 domain-containing protein 0.0044 0.01 0.0326
Loa Loa (eye worm) hypothetical protein 0.003 0.0041 0.0134
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.007 0.0209 0.0287
Brugia malayi Thioredoxin reductase 0.0763 0.3069 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0265 0.1011 0.3022
Schistosoma mansoni smad1 5 8 and 0.0044 0.01 0.01
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.1936 0.7905 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0265 0.1011 0.1389
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.1936 0.7905 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0033 0.0054 0.0177
Loa Loa (eye worm) hypothetical protein 0.0024 0.0019 0.0063
Schistosoma mansoni hypothetical protein 0.007 0.0209 0.0209
Echinococcus multilocularis lamin dm0 0.0061 0.0172 0.0236
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0265 0.1011 0.3022
Echinococcus multilocularis glutamate synthase 0.007 0.0209 0.0287
Echinococcus multilocularis tumor protein p63 0.1783 0.7274 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0265 0.1011 1
Echinococcus multilocularis Smad4 0.0044 0.01 0.0137
Loa Loa (eye worm) thioredoxin reductase 0.0763 0.3069 1
Loa Loa (eye worm) intermediate filament protein 0.0061 0.0172 0.056
Brugia malayi cytoplasmic intermediate filament protein 0.0033 0.0054 0.0177
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0209 0.0304
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0265 0.1011 0.2803
Onchocerca volvulus 0.0061 0.0172 0.1725
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.007 0.0209 0.0287
Trypanosoma cruzi trypanothione reductase, putative 0.0265 0.1011 0.3022
Brugia malayi Smad1 0.0044 0.01 0.0326
Brugia malayi MH2 domain containing protein 0.0044 0.01 0.0326
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.1742 0.7103 0.8958
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.007 0.0209 0.0287
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0265 0.1011 0.2891
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.007 0.0209 0.0287
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0174 0.0185
Trichomonas vaginalis mercuric reductase, putative 0.0265 0.1011 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0265 0.1011 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0044 0.01 0.0137
Echinococcus granulosus Smad4 0.0044 0.01 0.0137
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0763 0.3069 0.3716
Plasmodium falciparum glutathione reductase 0.0763 0.3069 1
Mycobacterium tuberculosis Probable oxidoreductase 0.1936 0.7905 1
Trypanosoma cruzi NADH dehydrogenase, putative 0.007 0.0209 0.0304
Mycobacterium tuberculosis Probable reductase 0.1742 0.7103 0.8958
Leishmania major trypanothione reductase 0.0763 0.3069 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0265 0.1011 0.2891
Brugia malayi glutamate synthase 0.007 0.0209 0.0681
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0265 0.1011 0.3293
Schistosoma mansoni disulfide oxidoreductase 0.007 0.0209 0.0209
Plasmodium falciparum thioredoxin reductase 0.0763 0.3069 1
Trichomonas vaginalis glutathione reductase, putative 0.0265 0.1011 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0265 0.1011 0.3022
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.007 0.0209 0.5
Plasmodium falciparum thioredoxin reductase 0.0265 0.1011 0.2803
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.007 0.0209 0.0287
Schistosoma mansoni smad1 5 8 and 0.0044 0.01 0.01
Leishmania major NADH dehydrogenase, putative 0.007 0.0209 0.0121
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0209 0.0304
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.007 0.0209 0.0121
Brugia malayi Intermediate filament tail domain containing protein 0.0061 0.0172 0.056
Toxoplasma gondii thioredoxin reductase 0.0763 0.3069 1
Entamoeba histolytica disulphide oxidoreductase, putative 0.007 0.0209 0.5
Brugia malayi glutathione reductase 0.0763 0.3069 1
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0174 0.0185
Trypanosoma brucei NADH dehydrogenase 0.007 0.0209 0.0121
Onchocerca volvulus 0.0261 0.0996 1
Schistosoma mansoni sulfide quinone reductase 0.007 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0261 0.0996 0.3245
Loa Loa (eye worm) hypothetical protein 0.006 0.0167 0.0545
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.1742 0.7103 0.8958
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0265 0.1011 0.2803
Echinococcus multilocularis thioredoxin glutathione reductase 0.0772 0.3105 0.4269
Echinococcus multilocularis mothers against decapentaplegic 5 0.0044 0.01 0.0137
Echinococcus granulosus smad 0.0044 0.01 0.0137
Echinococcus granulosus cytoplasmic intermediate filament protein 0.003 0.0041 0.0056
Schistosoma mansoni Smad4 0.0044 0.01 0.01
Schistosoma mansoni intermediate filament proteins 0.0061 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0028 0.0036 0.0119
Entamoeba histolytica glutamate synthase beta subunit, putative 0.007 0.0209 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.0172 0.056
Loa Loa (eye worm) MH2 domain-containing protein 0.0643 0.2573 0.8385
Echinococcus granulosus glutamate synthase 0.007 0.0209 0.0287
Schistosoma mansoni sulfide quinone reductase 0.007 0.0209 0.0209
Echinococcus multilocularis musashi 0.0061 0.0172 0.0236
Leishmania major hypothetical protein, conserved 0.007 0.0209 0.0121
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.1742 0.7103 0.8958
Trypanosoma brucei trypanothione reductase 0.0763 0.3069 1
Leishmania major hypothetical protein, conserved 0.007 0.0209 0.0121
Loa Loa (eye worm) hypothetical protein 0.0028 0.0036 0.0119
Trypanosoma cruzi trypanothione reductase, putative 0.0763 0.3069 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0194 0.0721 0.2349
Mycobacterium tuberculosis Probable dehydrogenase 0.1742 0.7103 0.8958
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.1936 0.7905 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0265 0.1011 1
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.007 0.0209 0.0287
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.007 0.0209 0.5
Echinococcus granulosus intermediate filament protein 0.0061 0.0172 0.0236
Schistosoma mansoni glutamate synthase 0.007 0.0209 0.0209
Loa Loa (eye worm) programmed cell death 8 0.007 0.0209 0.0681
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.007 0.0209 0.0287
Loa Loa (eye worm) hypothetical protein 0.007 0.0209 0.0681
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0265 0.1011 1
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0174 0.0185
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.007 0.0209 0.0287
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0265 0.1011 0.1011
Echinococcus granulosus TGF beta signal transducer SmadC 0.0044 0.01 0.0137
Schistosoma mansoni smad1 5 8 and 0.0044 0.01 0.01
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.007 0.0209 0.0681
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.007 0.0209 0.0121
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.007 0.0209 0.0681
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0265 0.1011 0.3022
Echinococcus granulosus sulfide:quinone oxidoreductase 0.007 0.0209 0.0287
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0194 0.0721 0.2349
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.007 0.0209 0.0287
Onchocerca volvulus 0.007 0.0209 0.2098
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0265 0.1011 0.2891
Entamoeba histolytica thioredoxin reductase, putative 0.007 0.0209 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0772 0.3105 0.4269
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0265 0.1011 0.1042
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.007 0.0209 0.0287
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0265 0.1011 0.2891
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.007 0.0209 0.0121
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.007 0.0209 0.0304
Brugia malayi MH1 domain containing protein 0.0044 0.01 0.0326
Brugia malayi MH2 domain containing protein 0.0643 0.2573 0.8385
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0265 0.1011 0.2891
Schistosoma mansoni glutamate synthase 0.007 0.0209 0.0209
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0265 0.1011 0.2803
Schistosoma mansoni smad 0.0044 0.01 0.01
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.007 0.0209 0.0304
Echinococcus granulosus lamin dm0 0.0061 0.0172 0.0236
Toxoplasma gondii NADPH-glutathione reductase 0.0265 0.1011 0.2803
Schistosoma mansoni glutamate synthase 0.007 0.0209 0.0209
Mycobacterium tuberculosis Putative ferredoxin reductase 0.1742 0.7103 0.8958
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0056 0.0152 0.011
Loa Loa (eye worm) nuclear factor I 0.0024 0.0019 0.0063
Schistosoma mansoni lamin 0.0061 0.0172 0.0172
Schistosoma mansoni cellular tumor antigen P53 0.0261 0.0996 0.0996
Treponema pallidum NADH oxidase 0.0265 0.1011 1
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.007 0.0209 0.0681
Schistosoma mansoni lamin 0.0061 0.0172 0.0172
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0265 0.1011 0.2891
Echinococcus multilocularis lamin 0.0061 0.0172 0.0236
Loa Loa (eye worm) MH2 domain-containing protein 0.0044 0.01 0.0326
Loa Loa (eye worm) glutathione reductase 0.0763 0.3069 1
Onchocerca volvulus 0.0061 0.0172 0.1725
Trypanosoma brucei hypothetical protein, conserved 0.007 0.0209 0.0121
Leishmania major hypothetical protein, conserved 0.007 0.0209 0.0121
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0265 0.1011 1
Brugia malayi intermediate filament protein 0.0061 0.0172 0.056
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0265 0.1011 0.3022
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.007 0.0209 0.0121
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.007 0.0209 0.0287
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0265 0.1011 0.3022
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.007 0.0209 0.0304

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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