Detailed information for compound 671230

Basic information

Technical information
  • TDR Targets ID: 671230
  • Name: ZINC01126320
  • MW: 450.504 | Formula: C20H19FN2O5S2
  • H donors: 2 H acceptors: 4 LogP: 3.41 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)F
  • InChi: 1S/C20H19FN2O5S2/c1-2-28-18-9-5-16(6-10-18)22-30(26,27)20-13-7-17(8-14-20)23-29(24,25)19-11-3-15(21)4-12-19/h3-14,22-23H,2H2,1H3
  • InChiKey: ZDOPUJBZUOFQGC-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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 Conserved hypothetical protein 0.002 0.0022 0.0028
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0087 0.0295
Loa Loa (eye worm) glutathione reductase 0.0203 0.2919 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.007 0.0818 0.1042
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.007 0.0818 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0396 0.1358
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0103 0.0354
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0022 0.0268
Schistosoma mansoni bromodomain containing protein 0.0068 0.078 0.078
Brugia malayi intermediate filament protein 0.0056 0.0592 0.2028
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0058 0.0625 0.2111
Echinococcus multilocularis lamin dm0 0.0056 0.0592 0.1998
Loa Loa (eye worm) hypothetical protein 0.0128 0.1734 0.594
Mycobacterium ulcerans flavoprotein disulfide reductase 0.007 0.0818 1
Brugia malayi Intermediate filament tail domain containing protein 0.0056 0.0592 0.2028
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0058 0.0625 0.7641
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.007 0.0818 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.007 0.0818 0.2803
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0103 0.0354
Leishmania major DNA polymerase kappa, putative 0.002 0.0022 0.0075
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0548 0.0548
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0463 0.7038 0.8958
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0022 0.0075
Leishmania major DNA polymerase eta, putative 0.002 0.0022 0.0075
Leishmania major dihydrolipoamide dehydrogenase, putative 0.007 0.0818 0.2803
Toxoplasma gondii thioredoxin reductase 0.0203 0.2919 1
Echinococcus multilocularis dna polymerase kappa 0.002 0.0022 0.0074
Mycobacterium tuberculosis Probable dehydrogenase 0.0463 0.7038 0.8958
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0022 0.0075
Echinococcus multilocularis musashi 0.0056 0.0592 0.1998
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0022 0.0075
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.007 0.0818 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0058 0.0625 0.2142
Echinococcus multilocularis thioredoxin glutathione reductase 0.0206 0.2962 1
Onchocerca volvulus 0.0056 0.0592 0.3414
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0548 0.1851
Trypanosoma cruzi trypanothione reductase, putative 0.007 0.0818 0.2803
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0103 0.0354
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0022 0.0075
Leishmania major dihydrolipoamide dehydrogenase, putative 0.007 0.0818 0.2803
Brugia malayi Bromodomain containing protein 0.0081 0.0979 0.3353
Schistosoma mansoni zinc finger protein 0.0021 0.0037 0.0037
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.0719 0.2426
Loa Loa (eye worm) hypothetical protein 0.0041 0.0356 0.122
Loa Loa (eye worm) hypothetical protein 0.0128 0.1734 0.594
Trichomonas vaginalis ap endonuclease, putative 0.0058 0.0625 0.7641
Brugia malayi hypothetical protein 0.0025 0.0103 0.0354
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0022 0.0075
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0022 0.0075
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0548 0.1878
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0058 0.0625 0.0796
Echinococcus multilocularis dna polymerase eta 0.002 0.0022 0.0074
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0515 0.7856 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0315 0.1063
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0052 0.0523 0.179
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0058 0.0625 0.2142
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0022 0.035
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.007 0.0818 0.0818
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0548 0.1851
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0515 0.7856 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0463 0.7038 0.8958
Brugia malayi glutathione reductase 0.0203 0.2919 1
Trichomonas vaginalis glutathione reductase, putative 0.007 0.0818 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0058 0.0625 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0058 0.0625 0.2142
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.007 0.0818 0.2763
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0087 0.0295
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0519 0.1779
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0022 0.0022
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.018 0.0616
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.007 0.0818 0.2803
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0022 0.0075
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0052 0.0523 0.179
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0022 0.0075
Trypanosoma cruzi trypanothione reductase, putative 0.0203 0.2919 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0056 0.0592 0.2028
Plasmodium falciparum thioredoxin reductase 0.007 0.0818 0.2803
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0022 0.0268
Loa Loa (eye worm) hypothetical protein 0.0026 0.0116 0.0399
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0022 0.0075
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0022 0.0268
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0022 0.0075
Echinococcus granulosus thioredoxin glutathione reductase 0.0206 0.2962 1
Schistosoma mansoni intermediate filament proteins 0.0056 0.0592 0.0592
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0022 0.0022
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0022 0.0075
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.0818 0.2803
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0103 0.0354
Plasmodium falciparum glutathione reductase 0.0203 0.2919 1
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.1907 0.6533
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0022 0.0268
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0058 0.0625 0.2142
Schistosoma mansoni lamin 0.0056 0.0592 0.0592
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.007 0.0818 0.2803
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0515 0.7856 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0022 0.0074
Plasmodium vivax glutathione reductase, putative 0.0203 0.2919 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0133 0.0454
Schistosoma mansoni ap endonuclease 0.0058 0.0625 0.0625
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.018 0.0616
Onchocerca volvulus 0.0056 0.0592 0.3414
Trypanosoma brucei unspecified product 0.002 0.0022 0.0075
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0203 0.2919 0.3716
Brugia malayi Bromodomain containing protein 0.0041 0.0355 0.1216
Loa Loa (eye worm) hypothetical protein 0.002 0.0022 0.0075
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0087 0.0087
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0022 0.0028
Brugia malayi exodeoxyribonuclease III family protein 0.0058 0.0625 0.2142
Mycobacterium tuberculosis Probable oxidoreductase 0.0515 0.7856 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0103 0.0354
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.0818 0.2803
Leishmania major acetoin dehydrogenase e3 component-like protein 0.007 0.0818 0.2803
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0463 0.7038 0.8958
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0022 0.0075
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0022 0.0074
Schistosoma mansoni DNA polymerase eta 0.002 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0025 0.0103 0.0354
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0103 0.0354
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.007 0.0818 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0022 0.0075
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.0818 0.2803
Brugia malayi hypothetical protein 0.0128 0.1734 0.594
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0022 0.0075
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.007 0.0818 0.2803
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0548 0.0548
Plasmodium vivax thioredoxin reductase, putative 0.0203 0.2919 1
Echinococcus multilocularis zinc finger protein 0.0021 0.0037 0.0125
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0519 0.1779
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0058 0.0625 0.2142
Loa Loa (eye worm) hypothetical protein 0.0026 0.0116 0.0399
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0463 0.7038 0.8958
Echinococcus granulosus dna polymerase eta 0.002 0.0022 0.0074
Loa Loa (eye worm) hypothetical protein 0.0076 0.0906 0.3104
Brugia malayi PHD-finger family protein 0.0027 0.0128 0.0437
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.007 0.0818 0.2803
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.007 0.0818 0.2803
Treponema pallidum NADH oxidase 0.007 0.0818 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.007 0.0818 0.2803
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0055 0.0188
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0022 0.0075
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.0818 0.2803
Giardia lamblia NADH oxidase lateral transfer candidate 0.007 0.0818 1
Toxoplasma gondii exonuclease III APE 0.0058 0.0625 0.2142
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0548 0.0548
Toxoplasma gondii NADPH-glutathione reductase 0.007 0.0818 0.2803
Loa Loa (eye worm) hypothetical protein 0.0046 0.0429 0.1469
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0058 0.0625 0.2111
Leishmania major hypothetical protein, conserved 0.0025 0.0103 0.0354
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.007 0.0818 0.2803
Trichomonas vaginalis ap endonuclease, putative 0.0058 0.0625 0.7641
Echinococcus granulosus lamin dm0 0.0056 0.0592 0.1998
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0548 0.1878
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.1907 0.6533
Echinococcus granulosus lamin 0.0056 0.0592 0.1998
Plasmodium falciparum thioredoxin reductase 0.0203 0.2919 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0022 0.0075
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0058 0.0625 0.7641
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0022 0.0075
Plasmodium falciparum glutathione reductase 0.007 0.0818 0.2803
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.007 0.0818 0.2803
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.007 0.0818 0.2763
Echinococcus multilocularis lamin 0.0056 0.0592 0.1998
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.0133 0.0448
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0022 0.0075
Schistosoma mansoni hypothetical protein 0.0035 0.0261 0.0261
Leishmania major trypanothione reductase 0.0203 0.2919 1
Mycobacterium tuberculosis Probable reductase 0.0463 0.7038 0.8958
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0022 0.0075
Loa Loa (eye worm) hypothetical protein 0.0035 0.0261 0.0896
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0103 0.0354
Treponema pallidum exodeoxyribonuclease (exoA) 0.0058 0.0625 0.7641
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0261 0.0896
Schistosoma mansoni ap endonuclease 0.0058 0.0625 0.0625
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.007 0.0818 0.2803
Loa Loa (eye worm) hypothetical protein 0.0056 0.0592 0.2028
Loa Loa (eye worm) hypothetical protein 0.0051 0.0519 0.1779
Loa Loa (eye worm) intermediate filament protein 0.0056 0.0592 0.2028
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0022 0.0075
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.0818 0.2803
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0548 0.1851
Echinococcus granulosus zinc finger protein 0.0021 0.0037 0.0125
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.0818 0.2803
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0058 0.0625 0.7641
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0022 0.0075
Loa Loa (eye worm) thioredoxin reductase 0.0203 0.2919 1
Schistosoma mansoni lamin 0.0056 0.0592 0.0592
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0022 0.0075
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0315 0.1063
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0058 0.0625 0.2142
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.0719 0.2426
Trichomonas vaginalis mercuric reductase, putative 0.007 0.0818 1
Echinococcus granulosus dna polymerase kappa 0.002 0.0022 0.0074
Giardia lamblia DINP protein human, muc B family 0.002 0.0022 0.0268
Loa Loa (eye worm) hypothetical protein 0.0055 0.0576 0.1972
Brugia malayi Thioredoxin reductase 0.0203 0.2919 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.0133 0.0448
Onchocerca volvulus Huntingtin homolog 0.0128 0.1734 1
Schistosoma mansoni hypothetical protein 0.0022 0.0055 0.0055
Onchocerca volvulus Huntingtin homolog 0.0128 0.1734 1
Brugia malayi MH2 domain containing protein 0.0139 0.1907 0.6533
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.007 0.0818 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0548 0.1851
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0022 0.0075
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0004 0.0015
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0058 0.0625 0.2142
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0463 0.7038 0.8958
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.007 0.0818 0.2803
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0519 0.1779
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.007 0.0818 0.2803
Trypanosoma brucei trypanothione reductase 0.0203 0.2919 1
Echinococcus granulosus intermediate filament protein 0.0056 0.0592 0.1998
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.007 0.0818 0.2803

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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