Detailed information for compound 1421315

Basic information

Technical information
  • TDR Targets ID: 1421315
  • Name: 3-methoxy-2-sulfanylidene-1H-quinazolin-4-one
  • MW: 208.237 | Formula: C9H8N2O2S
  • H donors: 1 H acceptors: 1 LogP: 1.27 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COn1c(=S)[nH]c2c(c1=O)cccc2
  • InChi: 1S/C9H8N2O2S/c1-13-11-8(12)6-4-2-3-5-7(6)10-9(11)14/h2-5H,1H3,(H,10,14)
  • InChiKey: SPDNAWBEGDGDQJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-methoxy-2-thioxo-1H-quinazolin-4-one
  • ZINC01268350
  • ZINC00523667
  • MLS000077895
  • SMR000036788
  • ST034311

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax glutathione reductase, putative 0.0057 0.058 0.8656
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0063 0.0652 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0018 0.0018
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.058 0.8656
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0018 0.0082
Loa Loa (eye worm) hypothetical protein 0.0013 0.0032 0.0032
Loa Loa (eye worm) RNA binding protein 0.0387 0.4709 0.4709
Schistosoma mansoni smad1 5 8 and 0.0024 0.0167 0.0246
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0018 0.0018
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0018 0.0037
Loa Loa (eye worm) latrophilin receptor protein 2 0.0256 0.3072 0.3072
Toxoplasma gondii exonuclease III APE 0.0023 0.0149 0.0678
Schistosoma mansoni tar DNA-binding protein 0.0387 0.4709 0.6931
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0018 0.0018
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0113 0.5
Brugia malayi RNA binding protein 0.0387 0.4709 0.4709
Brugia malayi MH2 domain containing protein 0.0024 0.0167 0.0167
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1677 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0063 0.0652 0.1385
Brugia malayi Latrophilin receptor protein 2 0.0256 0.3072 0.3072
Leishmania major trypanothione reductase 0.0057 0.058 0.8656
Brugia malayi nuclear receptor NHR-88 0.0012 0.0018 0.0018
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0149 0.0678
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0256 0.3072 0.3072
Schistosoma mansoni Smad4 0.0024 0.0167 0.0246
Brugia malayi isocitrate dehydrogenase 0.0063 0.0652 0.0652
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0256 0.3072 0.6524
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0018 0.0018
Schistosoma mansoni hypothetical protein 0.0554 0.6793 1
Schistosoma mansoni smad 0.0024 0.0167 0.0246
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0018 0.0018
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0149 0.0317
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0113 0.0166
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1677 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0149 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0018 0.0037
Brugia malayi Smad1 0.0024 0.0167 0.0167
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0018 0.0026
Echinococcus multilocularis Smad4 0.0024 0.0167 0.0355
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.1495 0.8837
Loa Loa (eye worm) hypothetical protein 0.0183 0.2153 0.2153
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0149 0.0234
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0018 0.0018
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0018 0.0037
Toxoplasma gondii thioredoxin reductase 0.0057 0.058 0.8656
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0018 0.0037
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0063 0.0652 0.1385
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0149 1
Echinococcus granulosus Smad4 0.0024 0.0167 0.0355
Schistosoma mansoni hypothetical protein 0.0256 0.3072 0.4522
Loa Loa (eye worm) MH2 domain-containing protein 0.0024 0.0167 0.0167
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.0047 0.0047
Brugia malayi glutathione reductase 0.0057 0.058 0.058
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1677 1
Mycobacterium tuberculosis Probable reductase 0.013 0.1495 0.8837
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0149 0.0678
Loa Loa (eye worm) isocitrate dehydrogenase 0.0063 0.0652 0.0652
Echinococcus granulosus mothers against decapentaplegic 5 0.0024 0.0167 0.0355
Schistosoma mansoni coup transcription factor 0.0012 0.0018 0.0026
Toxoplasma gondii isocitrate dehydrogenase 0.0063 0.0652 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0018 0.0037
Schistosoma mansoni hypothetical protein 0.0256 0.3072 0.4522
Brugia malayi MH2 domain containing protein 0.0024 0.0167 0.0167
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0018 0.0026
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0018 0.0037
Brugia malayi steroid hormone receptor 0.0012 0.0018 0.0018
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0063 0.0652 0.3449
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0149 0.0678
Schistosoma mansoni tar DNA-binding protein 0.0387 0.4709 0.6931
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0018 0.0018
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0018 0.0026
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0018 0.0018
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0018 0.0037
Schistosoma mansoni tar DNA-binding protein 0.0387 0.4709 0.6931
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0018 0.0037
Onchocerca volvulus 0.0012 0.0018 0.0082
Loa Loa (eye worm) glutathione reductase 0.0057 0.058 0.058
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.058 0.1231
Loa Loa (eye worm) hypothetical protein 0.0554 0.6793 0.6793
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0149 0.0149
Schistosoma mansoni hypothetical protein 0.0256 0.3072 0.4522
Loa Loa (eye worm) hypothetical protein 0.0012 0.0018 0.0018
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0256 0.3072 0.6524
Plasmodium falciparum glutathione reductase 0.0057 0.058 0.8656
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0018 0.0037
Trypanosoma brucei trypanothione reductase 0.0057 0.058 0.8656
Brugia malayi N-terminal motif family protein 0.0183 0.2153 0.2153
Brugia malayi Isocitrate dehydrogenase 0.0063 0.0652 0.0652
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0063 0.0652 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0018 0.0018
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0018 0.0018
Brugia malayi RNA recognition motif domain containing protein 0.0387 0.4709 0.4709
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0018 0.0018
Schistosoma mansoni hypothetical protein 0.0256 0.3072 0.4522
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0018 0.0037
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0113 0.0239
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0024 0.0167 0.0355
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.1495 0.8837
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0063 0.0652 0.096
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0018 0.0018
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0018 0.0026
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.1495 0.8837
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0018 0.0026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0018 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0018 0.0018
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0063 0.0652 1
Brugia malayi nuclear hormone receptor 0.0012 0.0018 0.0018
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0256 0.3072 0.6524
Echinococcus multilocularis GPCR, family 2 0.0256 0.3072 0.6524
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0018 0.0037
Loa Loa (eye worm) hypothetical protein 0.0012 0.0018 0.0018
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1677 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0149 1
Echinococcus multilocularis tar DNA binding protein 0.0387 0.4709 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0018 0.0026
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0018 0.0026
Schistosoma mansoni smad1 5 8 and 0.0024 0.0167 0.0246
Brugia malayi ecdysteroid receptor 0.0012 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0012 0.0018 0.0018
Loa Loa (eye worm) MH2 domain-containing protein 0.0355 0.4303 0.4303
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0018 0.0026
Brugia malayi MH1 domain containing protein 0.0024 0.0167 0.0167
Loa Loa (eye worm) Smad1 0.0024 0.0167 0.0167
Loa Loa (eye worm) hypothetical protein 0.081 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0063 0.0652 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0018 0.0018
Schistosoma mansoni smad1 5 8 and 0.0024 0.0167 0.0246
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0018 0.0037
Brugia malayi MH1 domain containing protein 0.0013 0.0032 0.0032
Brugia malayi MH2 domain containing protein 0.0355 0.4303 0.4303
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0018 0.0026
Echinococcus granulosus smad 0.0024 0.0167 0.0355
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0018 0.0037
Loa Loa (eye worm) pigment dispersing factor receptor c 0.081 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0018 0.0018
Echinococcus multilocularis smad 0.0024 0.0167 0.0355
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0149 0.0149
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0063 0.0652 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.081 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0149 0.0678
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0024 0.0167 0.0246
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0018 0.0026
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0149 0.0317
Brugia malayi MH1 domain containing protein 0.0013 0.0032 0.0032
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0018 0.0018
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0113 0.0113
Echinococcus granulosus TGF beta signal transducer SmadC 0.0024 0.0167 0.0355
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0063 0.0652 1
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0018 0.0037
Brugia malayi MH1 domain containing protein 0.0024 0.0167 0.0167
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0183 0.2153 1
Schistosoma mansoni tar DNA-binding protein 0.0387 0.4709 0.6931
Echinococcus granulosus tar DNA binding protein 0.0387 0.4709 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0149 1
Loa Loa (eye worm) transcription factor SMAD2 0.0355 0.4303 0.4303
Loa Loa (eye worm) hypothetical protein 0.0012 0.0018 0.0018
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0113 0.0239
Loa Loa (eye worm) hypothetical protein 0.0012 0.0018 0.0018
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0018 0.0037
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0063 0.0652 0.1385
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0018 0.0018
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0018 0.0018
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0149 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0018 0.0018
Brugia malayi latrophilin 2 splice variant baaae 0.0554 0.6793 0.6793
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0149 0.0678
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.1495 0.8837
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0149 1
Toxoplasma gondii isocitrate dehydrogenase 0.0063 0.0652 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.058 0.1231
Schistosoma mansoni tar DNA-binding protein 0.0387 0.4709 0.6931
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.058 0.8656
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0018 0.0018
Loa Loa (eye worm) nuclear factor I 0.0013 0.0032 0.0032
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0063 0.0652 1
Echinococcus granulosus GPCR family 2 0.0256 0.3072 0.6524
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0018 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0018 0.0018
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0018 0.0026
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0018 0.0037
Loa Loa (eye worm) MH1 domain-containing protein 0.0024 0.0167 0.0167
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0256 0.3072 0.6524
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0018 0.0018
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0018 0.0026
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.0047 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0012 0.0018 0.0018
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0018 0.0082
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0387 0.4709 0.4709
Plasmodium falciparum thioredoxin reductase 0.0057 0.058 0.8656
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0063 0.0652 0.1385
Brugia malayi Thioredoxin reductase 0.0057 0.058 0.058
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0149 0.0678
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0149 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.058 0.2985
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0018 0.0082
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0018 0.0037
Schistosoma mansoni ap endonuclease 0.0023 0.0149 0.022
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.1495 0.8837
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0063 0.0652 0.1385
Schistosoma mansoni ap endonuclease 0.0023 0.0149 0.022
Echinococcus multilocularis isocitrate dehydrogenase 0.0063 0.0652 0.1385
Echinococcus multilocularis mothers against decapentaplegic 5 0.0024 0.0167 0.0355
Loa Loa (eye worm) hypothetical protein 0.0256 0.3072 0.3072
Loa Loa (eye worm) TAR-binding protein 0.0387 0.4709 0.4709
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.058 0.058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0018 0.0018
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0018 0.0037
Brugia malayi TAR-binding protein 0.0387 0.4709 0.4709

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0657 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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