Detailed information for compound 1345336

Basic information

Technical information
  • TDR Targets ID: 1345336
  • Name: 4-(2,3-dimethylphenyl)-5-pyridin-4-yl-2H-1,2, 4-triazole-3-thione
  • MW: 282.363 | Formula: C15H14N4S
  • H donors: 0 H acceptors: 3 LogP: 2.89 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Sc1nnc(n1c1cccc(c1C)C)c1ccncc1
  • InChi: 1S/C15H14N4S/c1-10-4-3-5-13(11(10)2)19-14(17-18-15(19)20)12-6-8-16-9-7-12/h3-9H,1-2H3,(H,18,20)
  • InChiKey: PWKBBFJKVBFIJO-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 4-(2,3-dimethylphenyl)-5-(4-pyridyl)-2H-1,2,4-triazole-3-thione
  • ZINC00611144
  • 4-(2,3-dimethylphenyl)-5-(4-pyridinyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
  • MLS000621374
  • SMR000294390

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis thioredoxin 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
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Toxoplasma gondii exonuclease III APE 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Thioredoxin reductase 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
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase 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
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax glutathione 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
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma congolense trypanothione 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
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei trypanothione reductase 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 major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) thioredoxin reductase 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
Neospora caninum MGC84926 protein, related 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
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative 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
Trichomonas vaginalis ap endonuclease, 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
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense trypanothione 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
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Neospora caninum hypothetical protein 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium vivax thioredoxin reductase, putative 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Echinococcus multilocularis thioredoxin glutathione 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
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Theileria parva hypothetical 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
Cryptosporidium parvum conserved hypothetical protein 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
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
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 dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
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 483 aa 23.0 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable reductase 0.013 0.0466 0.7184
Loa Loa (eye worm) hypothetical protein 0.0028 0.0032 0.0023
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0083 0.0083
Brugia malayi jmjC domain containing protein 0.0043 0.0093 0.0085
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0108 0.0108
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0062 0.0062
Echinococcus multilocularis peregrin 0.0035 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0148 0.0542 0.0534
Onchocerca volvulus 0.0286 0.113 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0251 0.0243
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0881 0.3663 0.3663
Leishmania major 0.237 1 1
Plasmodium vivax glutathione reductase, putative 0.0057 0.0155 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0083 0.0075
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0093 0.0093
Plasmodium vivax SET domain protein, putative 0.0036 0.0065 0.422
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0093 0.0093
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0128 0.0849
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.0646 1
Echinococcus granulosus pyruvate kinase 0.004 0.0083 0.0083
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0155 0.0147
Toxoplasma gondii fructose-bisphospatase II 0.237 1 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.113 0.7974
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0155 0.0147
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0251 0.0251
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0009 0.0559
Mycobacterium ulcerans hypothetical protein 0.003 0.0038 0.0459
Echinococcus multilocularis pyruvate kinase 0.0032 0.0047 0.0047
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0065 0.0065
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.003 0.0038 0.0459
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.0032 0.0023
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.003 0.0038 0.0459
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.1006 0.0998
Plasmodium falciparum glutathione reductase 0.0057 0.0155 1
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0083 0.0075
Schistosoma mansoni pyruvate kinase 0.004 0.0083 0.0083
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0155 0.2297
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0083 0.1174
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1414 1
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0083 0.0202
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0113 0.0477
Brugia malayi Pre-SET motif family protein 0.0251 0.0982 0.0974
Schistosoma mansoni pyruvate kinase 0.004 0.0083 0.0083
Brugia malayi chromobox protein homolog 3 0.0047 0.0113 0.0104
Trichomonas vaginalis chromobox protein, putative 0.0084 0.027 0.186
Echinococcus multilocularis pyruvate kinase 0.004 0.0083 0.0083
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0054 0.0323
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0155 1
Echinococcus granulosus chromobox protein 1 0.0084 0.027 0.027
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0083 0.0075
Brugia malayi hypothetical protein 0.0148 0.0542 0.0534
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0155 0.0155
Echinococcus multilocularis citrate lyase subunit beta protein 0.003 0.0038 0.0038
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0251 0.0243
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0065 0.0065
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0528 0.7909
Entamoeba histolytica pyruvate kinase, putative 0.0028 0.0032 0.0163
Loa Loa (eye worm) pyruvate kinase 0.004 0.0083 0.0075
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0065 0.0065
Echinococcus granulosus fructose 16 bisphosphatase 1 0.237 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0065 0.0065
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0251 0.0251
Onchocerca volvulus Huntingtin homolog 0.0148 0.0542 0.4494
Mycobacterium ulcerans pyruvate kinase 0.004 0.0083 0.1174
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0062 0.0062
Brugia malayi PHD-finger family protein 0.0035 0.0062 0.0053
Leishmania major hypothetical protein, conserved 0.0257 0.1006 0.0998
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0009 0.0009
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.0646 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0093 0.0093
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0083 0.0532
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0065 0.0065
Trypanosoma brucei trypanothione reductase 0.0057 0.0155 0.0147
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0251 0.0243
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0128 0.0849
Brugia malayi jmjC domain containing protein 0.0115 0.0403 0.0395
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0083 0.0202
Plasmodium vivax pyruvate kinase, putative 0.004 0.0083 0.5383
Echinococcus granulosus chromobox protein 1 0.0084 0.027 0.027
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0221 0.0213
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0403 0.0403
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0047 0.0113 0.0104
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0009 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0169 0.016
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0881 0.3663 0.3658
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0251 0.0251
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0466 0.7184
Schistosoma mansoni hypothetical protein 0.0035 0.0062 0.0062
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0121 0.0121
Mycobacterium ulcerans hypothetical protein 0.003 0.0038 0.0459
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0528 0.8155
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1414 1
Schistosoma mansoni fructose-16-bisphosphatase-related 0.237 1 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.0646 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1414 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0251 0.0243
Echinococcus granulosus citrate lyase subunit beta protein 0.003 0.0038 0.0038
Schistosoma mansoni chromobox protein 0.0084 0.027 0.027
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.237 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.1006 0.0998
Brugia malayi Pre-SET motif family protein 0.0036 0.0065 0.0057
Loa Loa (eye worm) hypothetical protein 0.0036 0.0065 0.0057
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0062 0.0053
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0528 0.8155
Giardia lamblia Pyruvate kinase 0.004 0.0083 0.059
Brugia malayi Thioredoxin reductase 0.0057 0.0155 0.0147
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0009 0.0061
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0083 0.0075
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0038 0.0459
Trichomonas vaginalis chromobox protein, putative 0.0084 0.027 0.186
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0528 0.8155
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0128 0.0619
Echinococcus multilocularis chromobox protein 1 0.0084 0.027 0.027
Brugia malayi Heterochromatin protein 1 0.0084 0.027 0.0262
Schistosoma mansoni ap endonuclease 0.0023 0.0009 0.0009
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0083 0.0202
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0062 0.0062
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0065 0.0065
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.1006 0.0998
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0054 0.0323
Loa Loa (eye worm) pyruvate kinase 0.004 0.0083 0.0075
Plasmodium falciparum thioredoxin reductase 0.0057 0.0155 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0113 0.074
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0302 0.0302
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0113 0.074
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0881 0.3663 0.3658
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0062 0.0062
Echinococcus granulosus peregrin 0.0035 0.0062 0.0062
Mycobacterium tuberculosis Conserved protein 0.003 0.0038 0.0459
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0038 0.0029
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1414 1
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0108 0.0108
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0251 0.1726
Toxoplasma gondii exonuclease III APE 0.0023 0.0009 0.0009
Leishmania major trypanothione reductase 0.0057 0.0155 0.0147
Toxoplasma gondii thioredoxin reductase 0.0057 0.0155 0.0155
Leishmania major pyruvate kinase 0.004 0.0083 0.0075
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.1414 1
Loa Loa (eye worm) glutathione reductase 0.0057 0.0155 0.0147
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1414 1
Plasmodium falciparum pyruvate kinase 0.004 0.0083 0.5383
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1414 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0062 0.3989
Brugia malayi Bromodomain containing protein 0.0035 0.0062 0.0053
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0251 0.0243
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0065 0.0065
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.237 1 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0251 0.0243
Schistosoma mansoni chromobox protein 0.0084 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.004 0.0083 0.0075
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0466 0.7184
Chlamydia trachomatis pyruvate kinase 0.004 0.0083 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1414 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0062 0.0053
Trypanosoma brucei fructose-1,6-bisphosphatase 0.237 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1414 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0009 0.0559
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0083 0.0075
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1414 1
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0881 0.3663 0.3658
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0121 0.0121
Loa Loa (eye worm) pyruvate kinase 0.004 0.0083 0.0075
Giardia lamblia PHD finger protein 15 0.0035 0.0062 0.0437
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0083 0.0532
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.1414 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.0466 0.6809
Brugia malayi glutathione reductase 0.0057 0.0155 0.0147
Onchocerca volvulus Huntingtin homolog 0.0148 0.0542 0.4494
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0466 0.7184
Schistosoma mansoni ap endonuclease 0.0023 0.0009 0.0009
Toxoplasma gondii fructose-bisphospatase I 0.0881 0.3663 0.3663
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0038 0.0029
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0009 0.0009
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0093 0.0085
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0982 0.0974
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0062 0.0062
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.027 0.0262
Onchocerca volvulus 0.005 0.0124 0.0583
Echinococcus granulosus pyruvate kinase 0.004 0.0083 0.0083
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0466 0.7184
Loa Loa (eye worm) hypothetical protein 0.0148 0.0542 0.0534
Plasmodium falciparum phd finger protein, putative 0.0035 0.0062 0.3989
Leishmania major pyruvate kinase 0.004 0.0083 0.0075
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1414 1
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.237 1 1
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0038 0.0029
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0038 0.0459
Echinococcus multilocularis pyruvate kinase 0.004 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.0037 0.0069 0.0061
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.237 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0124 0.0124
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0403 0.0403
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0155 0.0155
Echinococcus multilocularis chromobox protein 1 0.0084 0.027 0.027
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.006 0.006
Trichomonas vaginalis Citrate lyase beta chain, putative 0.003 0.0038 0.0208
Trypanosoma brucei pyruvate kinase 1 0.004 0.0083 0.0075
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0466 0.7184
Onchocerca volvulus 0.0037 0.0069 0.007

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4467 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) 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 Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 11.2202 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) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Leishmania Mexicana Pyruvate Kinase (LmPK). (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Leishmania Mexicana Pyruvate Kinase (LmPK). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.
 
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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