Detailed information for compound 1371720

Basic information

Technical information
  • TDR Targets ID: 1371720
  • Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoeth yl] 2-naphthalen-2-ylsulfanylacetate
  • MW: 409.455 | Formula: C22H19NO5S
  • H donors: 1 H acceptors: 2 LogP: 4.26 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1ccc2c(c1)OCO2)COC(=O)CSc1ccc2c(c1)cccc2
  • InChi: 1S/C22H19NO5S/c24-21(23-11-15-5-8-19-20(9-15)28-14-27-19)12-26-22(25)13-29-18-7-6-16-3-1-2-4-17(16)10-18/h1-10H,11-14H2,(H,23,24)
  • InChiKey: IXONFHRHUCMMRM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate
  • 2-(2-naphthylthio)acetic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester
  • 2-(2-naphthylthio)acetic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-keto-ethyl] ester
  • [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-naphthalen-2-ylsulfanylethanoate
  • MLS000390109
  • SMR000259373
  • ZINC03237583

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0826 0.1056
Brugia malayi MH2 domain containing protein 0.001 0.0084 0.0107
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0826 0.0784
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0084 0.0299
Toxoplasma gondii thioredoxin reductase 0.0057 0.2805 1
Brugia malayi MH1 domain containing protein 0.001 0.0084 0.0107
Brugia malayi glutathione reductase 0.0057 0.2805 0.3589
Echinococcus granulosus Smad4 0.001 0.0084 0.0299
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0224 0.0286
Entamoeba histolytica hypothetical protein 0.0043 0.2019 1
Plasmodium falciparum thioredoxin reductase 0.0057 0.2805 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0826 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.2805 0.2985
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.2805 1
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0084 0.0107
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.7817 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.0355 0.0454
Plasmodium falciparum glutathione reductase 0.0057 0.2805 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.7016 0.8837
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.2805 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.7852 1
Toxoplasma gondii exonuclease III APE 0.0023 0.0826 0.0784
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0826 1
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0084 0.0299
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0657 0.0657
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0084 0.0299
Brugia malayi MH2 domain containing protein 0.0144 0.7817 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0826 0.4606
Schistosoma mansoni ap endonuclease 0.0023 0.0826 0.0826
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.2805 1
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0224 0.0224
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0042 0.1953 0.6961
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.7016 0.8837
Loa Loa (eye worm) glutathione reductase 0.0057 0.2805 0.3589
Brugia malayi hypothetical protein 0.0043 0.2019 0.2583
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0826 0.0784
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0657 0.0841
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0084 0.0084
Schistosoma mansoni smad1 5 8 and 0.001 0.0084 0.0084
Schistosoma mansoni ap endonuclease 0.0023 0.0826 0.0826
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0657 0.3667
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.0355 0.0454
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0657 0.3667
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.7852 1
Mycobacterium tuberculosis Probable reductase 0.013 0.7016 0.8837
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.2019 0.7198
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.7817 1
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.2805 0.3589
Schistosoma mansoni hypothetical protein 0.0043 0.2019 0.2019
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0042 0.1953 0.2498
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.7016 0.8837
Leishmania major trypanothione reductase 0.0057 0.2805 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0224 0.0797
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.2805 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0826 0.4606
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0826 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0826 0.0784
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0224 0.0797
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0224 0.0224
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.2176 0.2176
Loa Loa (eye worm) hypothetical protein 0.0037 0.1631 0.2087
Brugia malayi MH2 domain containing protein 0.001 0.0084 0.0107
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.7016 0.8837
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.2176 0.2176
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0826 0.2943
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0826 0.0784
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0826 0.1056
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0657 0.2343
Schistosoma mansoni Smad4 0.001 0.0084 0.0084
Echinococcus multilocularis Smad4 0.001 0.0084 0.0299
Loa Loa (eye worm) hypothetical protein 0.0012 0.0224 0.0286
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0657 0.2343
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0657 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.1792 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0084 0.0299
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0084 0.0107
Brugia malayi MH1 domain containing protein 0.001 0.0084 0.0107
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0042 0.1953 0.2498
Trypanosoma brucei trypanothione reductase 0.0057 0.2805 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0826 0.0234
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.7016 0.8837
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.7852 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.1792 1
Entamoeba histolytica hypothetical protein 0.0043 0.2019 1
Echinococcus granulosus smad 0.001 0.0084 0.0299
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0826 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0042 0.1953 0.6961
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0224 0.0797
Loa Loa (eye worm) Smad1 0.001 0.0084 0.0107
Entamoeba histolytica hypothetical protein 0.0043 0.2019 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.7852 1
Echinococcus multilocularis smad 0.001 0.0084 0.0299
Brugia malayi Smad1 0.001 0.0084 0.0107
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0826 0.2943
Brugia malayi Thioredoxin reductase 0.0057 0.2805 0.3589
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2019 0.2019
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0826 0.0784
Entamoeba histolytica hypothetical protein 0.0043 0.2019 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.2019 0.7198
Schistosoma mansoni smad1 5 8 and 0.001 0.0084 0.0084
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0224 0.0797
Schistosoma mansoni smad1 5 8 and 0.001 0.0084 0.0084
Plasmodium vivax glutathione reductase, putative 0.0057 0.2805 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0826 0.0784
Schistosoma mansoni smad 0.001 0.0084 0.0084

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1413 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5805 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference

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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