Detailed information for compound 1356489

Basic information

Technical information
  • TDR Targets ID: 1356489
  • Name: 2-(4-methylpyrimidin-2-yl)sulfanylacetamide
  • MW: 183.231 | Formula: C7H9N3OS
  • H donors: 1 H acceptors: 3 LogP: 0.39 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)CSc1nccc(n1)C
  • InChi: 1S/C7H9N3OS/c1-5-2-3-9-7(10-5)12-4-6(8)11/h2-3H,4H2,1H3,(H2,8,11)
  • InChiKey: DUOJRBRFWMBOOS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-methyl-2-pyrimidinyl)thio]acetamide
  • 2-[(4-methylpyrimidin-2-yl)thio]acetamide
  • 2-(4-methylpyrimidin-2-yl)sulfanylethanamide
  • MLS001007265
  • SMR000352531
  • T0507-6689
  • ZINC00419487

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei trypanothione 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
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense 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
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione 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
Plasmodium yoelii glutathione reductase 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
Plasmodium falciparum glutathione reductase 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 GLR1 (YPL091W) glutathione oxidoreductase 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
Toxoplasma gondii thioredoxin 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
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative 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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii 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
Leishmania braziliensis 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
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione 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
Plasmodium berghei thioredoxin reductase, putative 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
Plasmodium vivax 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
Leishmania donovani trypanothione 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 knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
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 22.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
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 489 aa 22.7 %
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 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
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 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
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 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cpg binding protein 0.0037 0.1789 0.1789
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0163 0.1793
Schistosoma mansoni sulfide quinone reductase 0.0005 0.0016 0.0016
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.7073 0.8958
Schistosoma mansoni disulfide oxidoreductase 0.0005 0.0016 0.0016
Plasmodium falciparum glutathione reductase 0.002 0.0836 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0836 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0836 0.2803
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0836 0.2803
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.002 0.0836 0.2803
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0836 0.0836
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0836 0.2803
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0163 0.1793
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0163 0.1793
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0836 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0206 0.0649
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0836 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.2943 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0836 0.2803
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0163 0.1793
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0163 0.1793
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0005 0.0016 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.1677 0.5676
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0163 0.1793
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.7073 0.8958
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0836 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.7893 1
Entamoeba histolytica thioredoxin reductase, putative 0.0005 0.0016 0.5
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.054 0.179
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.0836 0.2404
Treponema pallidum NADH oxidase 0.002 0.0836 1
Schistosoma mansoni sulfide quinone reductase 0.0005 0.0016 0.0016
Brugia malayi CXXC zinc finger family protein 0.0035 0.1677 0.5676
Schistosoma mansoni hypothetical protein 0.0005 0.0016 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0163 0.1793
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0163 0.1793
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0206 0.0206
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0005 0.0016 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.7893 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0836 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0836 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0836 0.2803
Loa Loa (eye worm) glutathione reductase 0.0057 0.2943 1
Echinococcus granulosus cpg binding protein 0.0037 0.1789 0.6057
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0836 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0163 0.1793
Schistosoma mansoni glutamate synthase 0.0005 0.0016 0.0016
Schistosoma mansoni glutamate synthase 0.0005 0.0016 0.0016
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.054 0.179
Plasmodium vivax glutathione reductase, putative 0.0057 0.2943 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0163 0.1793
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0005 0.0016 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0206 0.0649
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0836 0.2803
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0836 0.2803
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0163 0.1793
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0005 0.0016 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0163 0.1793
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.002 0.0836 0.2803
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.2943 1
Trichomonas vaginalis helicase, putative 0.0008 0.0163 0.1793
Brugia malayi glutathione reductase 0.0057 0.2943 1
Echinococcus multilocularis cpg binding protein 0.0037 0.1789 0.6057
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0317 0.103
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0163 0.1793
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0836 0.2803
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.2943 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.2943 0.3716
Leishmania major trypanothione reductase 0.0057 0.2943 1
Mycobacterium tuberculosis Probable reductase 0.013 0.7073 0.8958
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0163 0.1793
Plasmodium falciparum glutathione reductase 0.0057 0.2943 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.7073 0.8958
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.0836 0.2803
Toxoplasma gondii thioredoxin reductase 0.0057 0.2943 0.8577
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0836 0.2803
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.7893 1
Plasmodium falciparum thioredoxin reductase 0.002 0.0836 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0836 0.2803
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0836 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0836 0.2803
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.7073 0.8958
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0163 0.1793
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0206 0.0649
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0836 0.2803
Schistosoma mansoni glutamate synthase 0.0005 0.0016 0.0016
Plasmodium falciparum thioredoxin reductase 0.0057 0.2943 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0206 0.0649
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.2943 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.3429 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0163 0.1793
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0163 0.1793
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.002 0.0836 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0836 0.2803
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0836 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0836 0.2803
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.0836 0.2803
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.002 0.0836 0.2803
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.7073 0.8958
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.7893 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.002 0.0836 0.1042
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0005 0.0016 0.5
Schistosoma mansoni cpg binding protein 0.0035 0.1677 0.1677
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.7073 0.8958
Brugia malayi Thioredoxin reductase 0.0057 0.2943 1
Onchocerca volvulus 0.0035 0.1677 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.3872 0.3872
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0836 1
Trypanosoma brucei trypanothione reductase 0.0057 0.2943 1
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.2943 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0325 0.1056
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0325 0.1056
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0836 0.2803
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0325 0.1056
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.0836 0.2404
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0836 0.2803
Schistosoma mansoni cpg binding protein 0.0037 0.1789 0.1789
Entamoeba histolytica disulphide oxidoreductase, putative 0.0005 0.0016 0.5
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0836 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (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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