Detailed information for compound 1440786

Basic information

Technical information
  • TDR Targets ID: 1440786
  • Name: 3-Dimethylamino-1-(4-fluoro-phenyl)-propan-1- one
  • MW: 231.694 | Formula: C11H15ClFNO
  • H donors: 0 H acceptors: 1 LogP: 2.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCC(=O)c1ccc(cc1)F)C.Cl
  • InChi: 1S/C11H14FNO.ClH/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9;/h3-6H,7-8H2,1-2H3;1H
  • InChiKey: YWZUEPMOWCDZAA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000779492
  • SMR000419684

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi thioredoxin 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium falciparum 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
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) 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
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Thioredoxin 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
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium vivax 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative 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
Plasmodium yoelii glutathione reductase 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative 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
Trypanosoma cruzi trypanothione 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
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
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
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
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 gambiense trypanothione 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 22.9 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania donovani 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 yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
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 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
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 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.3346 1
Schistosoma mansoni cpg binding protein 0.0037 0.0943 0.0943
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0009 0.0098 0.0057
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0036 0.091 0.134
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.091 0.2501
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3346 0.3808
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0261 0.7896 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.091 0.2501
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.7084 0.8958
Trypanosoma cruzi trypanothione reductase, putative 0.0103 0.2995 0.8921
Plasmodium falciparum glutathione reductase 0.0036 0.091 0.2803
Echinococcus multilocularis thioredoxin glutathione reductase 0.0103 0.3014 0.4813
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0026 0.0617 0.0689
Brugia malayi CXXC zinc finger family protein 0.0035 0.0881 0.104
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.3346 0.536
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0036 0.091 0.2803
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0036 0.091 0.2501
Brugia malayi Pre-SET motif family protein 0.0037 0.0947 0.1127
Loa Loa (eye worm) hypothetical protein 0.0037 0.0947 0.1127
Plasmodium falciparum glutathione reductase 0.0103 0.2995 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0113 0.0025
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0234 0.7084 0.8958
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0947 0.1401
Echinococcus multilocularis geminin 0.0205 0.6157 1
Schistosoma mansoni cpg binding protein 0.0037 0.0943 0.0943
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0036 0.091 1
Schistosoma mansoni hypothetical protein 0.0205 0.6157 0.6157
Trichomonas vaginalis glutamate synthase, putative 0.0009 0.0098 0.0057
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0036 0.091 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0036 0.091 0.2803
Onchocerca volvulus 0.0035 0.0881 0.091
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0036 0.091 1
Onchocerca volvulus 0.0287 0.8709 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0947 0.0947
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.091 0.2501
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.091 0.2501
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.3346 0.536
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0009 0.0098 0.0057
Trichomonas vaginalis mercuric reductase, putative 0.0036 0.091 0.0995
Schistosoma mansoni hypothetical protein 0.0009 0.0098 0.0098
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.091 0.2501
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.3346 0.4312
Schistosoma mansoni sulfide quinone reductase 0.0009 0.0098 0.0098
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0036 0.091 0.2803
Schistosoma mansoni kinase 0.0058 0.1604 0.1604
Schistosoma mansoni glutamate synthase 0.0009 0.0098 0.0098
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0036 0.091 0.091
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.7084 0.8958
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0009 0.0098 0.0057
Trypanosoma brucei trypanothione reductase 0.0103 0.2995 0.8921
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3346 0.3808
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.3346 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.7084 0.8958
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.7084 0.8958
Trypanosoma brucei polo-like protein kinase 0.0114 0.3346 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.091 0.2501
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0947 0.1401
Giardia lamblia NADH oxidase lateral transfer candidate 0.0036 0.091 0.2501
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0113 0.0113
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1558 0.1743
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0009 0.0098 0.0057
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0113 0.0025
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3346 0.3808
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.091 0.2501
Schistosoma mansoni cpg binding protein 0.0035 0.0881 0.0881
Toxoplasma gondii NADPH-glutathione reductase 0.0036 0.091 0.2803
Trichomonas vaginalis set domain proteins, putative 0.0287 0.8709 1
Schistosoma mansoni glutamate synthase 0.0009 0.0098 0.0098
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0113 0.0025
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.091 0.2501
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0261 0.7896 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0881 0.104
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.1886 0.6169
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0036 0.091 0.2501
Plasmodium vivax thioredoxin reductase, putative 0.0103 0.2995 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0009 0.0098 0.0057
Trichomonas vaginalis glutamate synthase, putative 0.0009 0.0098 0.0057
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.7084 0.8958
Brugia malayi glutathione reductase 0.0103 0.2995 0.3846
Plasmodium falciparum thioredoxin reductase 0.0103 0.2995 1
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0179 0.0107
Trichomonas vaginalis glutathione reductase, putative 0.0036 0.091 0.0995
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0009 0.0098 0.0057
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.091 0.2501
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0036 0.091 0.1042
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0174 0.0102
Giardia lamblia Kinase, PLK 0.0114 0.3346 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0947 0.0947
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0036 0.091 0.134
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.091 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3346 0.3808
Echinococcus granulosus thioredoxin glutathione reductase 0.0103 0.3014 0.4813
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.091 1
Echinococcus granulosus cpg binding protein 0.0037 0.0943 0.1394
Schistosoma mansoni disulfide oxidoreductase 0.0009 0.0098 0.0098
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.091 0.1078
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3346 1
Mycobacterium tuberculosis Probable reductase 0.0234 0.7084 0.8958
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0009 0.0098 0.0057
Trichomonas vaginalis apoptosis inducing factor, putative 0.0009 0.0098 0.0057
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0947 0.0947
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1558 0.1743
Loa Loa (eye worm) thioredoxin reductase 0.0103 0.2995 0.3846
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0947 0.1401
Brugia malayi Thioredoxin reductase 0.0103 0.2995 0.3846
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0261 0.7896 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0947 0.0947
Plasmodium falciparum thioredoxin reductase 0.0036 0.091 0.2803
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.7631 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3346 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0943 0.1394
Plasmodium vivax SET domain protein, putative 0.0037 0.0947 0.2931
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3346 0.3808
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.3346 0.4312
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0179 0.0133
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.3346 0.3346
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0179 0.0133
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0947 0.2931
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3346 0.3808
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0103 0.2995 0.3716
Plasmodium vivax glutathione reductase, putative 0.0103 0.2995 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.091 0.2501
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0113 0.0025
Brugia malayi Pre-SET motif family protein 0.0252 0.7631 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3346 0.3808
Onchocerca volvulus 0.0037 0.0947 0.0986
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0036 0.091 0.2501
Schistosoma mansoni hypothetical protein 0.0205 0.6157 0.6157
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.091 0.2501
Schistosoma mansoni glutamate synthase 0.0009 0.0098 0.0098
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0036 0.091 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.2129 0.2129
Treponema pallidum NADH oxidase 0.0036 0.091 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0882 0.1295
Echinococcus granulosus geminin 0.0205 0.6157 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.3346 0.3772
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0009 0.0098 0.0057
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0009 0.0098 0.0057
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.091 0.2501
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0036 0.091 0.2803
Leishmania major trypanothione reductase 0.0103 0.2995 0.8921
Schistosoma mansoni sulfide quinone reductase 0.0009 0.0098 0.0098
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0036 0.091 0.2501
Loa Loa (eye worm) glutathione reductase 0.0103 0.2995 0.3846
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0026 0.0617 0.0689
Toxoplasma gondii thioredoxin reductase 0.0103 0.2995 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.091 0.2501
Mycobacterium tuberculosis Probable oxidoreductase 0.0261 0.7896 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0009 0.0098 0.0057
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0036 0.091 0.2803

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.5012 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 1.122 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) 13.3714 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 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) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 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) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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