Detailed information for compound 1398723

Basic information

Technical information
  • TDR Targets ID: 1398723
  • Name: 2-(chloromethyl)-6-methyl-3-oxido-4-phenylqui nazolin-3-ium
  • MW: 284.74 | Formula: C16H13ClN2O
  • H donors: 0 H acceptors: 2 LogP: 3 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCc1nc2ccc(cc2c([n+]1[O-])c1ccccc1)C
  • InChi: 1S/C16H13ClN2O/c1-11-7-8-14-13(9-11)16(12-5-3-2-4-6-12)19(20)15(10-17)18-14/h2-9H,10H2,1H3
  • InChiKey: WFFWEEOVGFHGGZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(chloromethyl)-6-methyl-3-oxido-4-phenyl-quinazolin-3-ium
  • ZINC00175523
  • EU-0033914
  • 2-Chloromethyl-6-methyl-4-phenyl-quinazoline 3-oxide
  • MLS001207284
  • SMR000505112
  • BAS 00163884

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Giardia lamblia Kinase, PLK 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
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus serine:threonine protein kinase PLK1 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei gambiense trypanothione reductase, putative 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
Cryptosporidium parvum thioredoxin reductase 1 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
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Toxoplasma gondii thioredoxin 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
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
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
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
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
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
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi glutathione 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
Plasmodium berghei thioredoxin reductase, putative 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
Trypanosoma brucei 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
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi trypanothione 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
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax thioredoxin reductase, putative 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 glutathione 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
Babesia bovis thiodoxin 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
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense trypanothione reductase, putative 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
Neospora caninum Glutathione reductase, related 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
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania mexicana 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 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
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Serine/threonine-protein kinase PLK1, 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
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 %
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 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania major 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 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.3112 1
Brugia malayi glutathione reductase 0.0103 0.2707 0.3605
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0762 0.2448
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0762 0.0762
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0522 0.0659
Mycobacterium tuberculosis Probable oxidoreductase 0.0261 0.7809 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0536 0.0619
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0536 0.0619
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.133 0.1772
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.055 0.1766
Trypanosoma brucei polo-like protein kinase 0.0114 0.3072 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3072 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0261 0.7809 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3072 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.6963 0.8837
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0522 0.1679
Loa Loa (eye worm) glutathione reductase 0.0103 0.2707 0.3605
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0036 0.0536 0.0536
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3072 0.3133
Echinococcus granulosus peregrin 0.0035 0.0522 0.1679
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0522 0.0659
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0536 0.0619
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0522 0.0522
Schistosoma mansoni kinase 0.0058 0.1258 0.1258
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0968 0.3111
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0036 0.0536 0.5
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0036 0.0536 0.1721
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0036 0.0536 0.0619
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0536 0.0619
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0536 0.0619
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.3072 0.9871
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.055 0.0775
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.055 0.055
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.3072 0.3072
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.6963 0.8837
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3072 0.3133
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3072 0.3133
Plasmodium falciparum glutathione reductase 0.0036 0.0536 0.0716
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0261 0.7809 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0036 0.0536 0.5
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0026 0.023 0.0306
Plasmodium falciparum thioredoxin reductase 0.0103 0.2707 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.133 0.1772
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.6963 0.8837
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0026 0.023 0.0306
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.055 0.055
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0036 0.0536 0.0716
Trypanosoma cruzi trypanothione reductase, putative 0.0103 0.2707 0.865
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0036 0.0536 0.0716
Brugia malayi PHD-finger family protein 0.0035 0.0522 0.0696
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.3072 0.4091
Toxoplasma gondii thioredoxin reductase 0.0103 0.2707 1
Toxoplasma gondii NADPH-glutathione reductase 0.0036 0.0536 0.0716
Onchocerca volvulus 0.0286 0.8631 1
Plasmodium falciparum phd finger protein, putative 0.0035 0.0522 0.0659
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.3072 0.4091
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0036 0.0536 0.0716
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.055 0.1766
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0522 0.0659
Giardia lamblia Kinase, PLK 0.0114 0.3072 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0103 0.2727 0.8762
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.055 0.055
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.055 0.055
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0762 0.0762
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.121 0.0833
Loa Loa (eye worm) hypothetical protein 0.0041 0.0715 0.0952
Schistosoma mansoni hypothetical protein 0.0035 0.0522 0.0522
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0522 0.0696
Loa Loa (eye worm) hypothetical protein 0.0035 0.0522 0.0696
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0536 0.0619
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3072 0.3133
Schistosoma mansoni hypothetical protein 0.0041 0.0715 0.0715
Plasmodium vivax SET domain protein, putative 0.0036 0.055 0.0775
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.3072 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0036 0.0536 0.0619
Mycobacterium tuberculosis Probable reductase 0.0234 0.6963 0.8837
Brugia malayi Bromodomain containing protein 0.0035 0.0522 0.0696
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.3072 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0536 0.0619
Loa Loa (eye worm) hypothetical protein 0.0036 0.055 0.0732
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.0536 0.0619
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0036 0.0536 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.6963 0.8837
Plasmodium vivax glutathione reductase, putative 0.0103 0.2707 1
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.121 0.0833
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0715 0.0952
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3072 0.3133
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3072 0.3133
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0036 0.0536 0.0619
Brugia malayi Thioredoxin reductase 0.0103 0.2707 0.3605
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2346 0.2346
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.3112 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0536 0.0619
Loa Loa (eye worm) hypothetical protein 0.003 0.0368 0.049
Echinococcus granulosus thioredoxin glutathione reductase 0.0103 0.2727 0.8762
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0762 0.2448
Brugia malayi Pre-SET motif family protein 0.0036 0.055 0.0732
Treponema pallidum NADH oxidase 0.0036 0.0536 0.5
Brugia malayi jmjC domain containing protein 0.0115 0.3112 0.4144
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.3072 0.9871
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7509 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1335 0.1778
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0103 0.2707 0.2985
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0036 0.0536 0.0619
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8631 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.133 0.1772
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0536 0.0619
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.3072 0.3144
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0507 0.1628
Plasmodium vivax thioredoxin reductase, putative 0.0103 0.2707 1
Brugia malayi hypothetical protein 0.002 0.0019 0.0026
Onchocerca volvulus 0.0036 0.055 0.0034
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1734 0.231
Loa Loa (eye worm) hypothetical protein 0.006 0.133 0.1772
Plasmodium falciparum thioredoxin reductase 0.0036 0.0536 0.0716
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0536 0.5
Brugia malayi hypothetical protein 0.003 0.0368 0.049
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0036 0.0536 0.1721
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0536 0.5
Echinococcus multilocularis peregrin 0.0035 0.0522 0.1679
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0536 0.0619
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0968 0.3111
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.055 0.1766
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0036 0.0536 0.0716
Plasmodium falciparum glutathione reductase 0.0103 0.2707 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.0536 0.0713
Brugia malayi Pre-SET motif family protein 0.0251 0.7509 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0522 0.1679
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3072 0.3133
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0536 0.0619
Trypanosoma brucei trypanothione reductase 0.0103 0.2707 0.865
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0762 0.1015
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0536 0.0619
Giardia lamblia NADH oxidase lateral transfer candidate 0.0036 0.0536 0.0052
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0036 0.0536 0.5
Brugia malayi jmjC domain containing protein 0.0043 0.0762 0.1015
Leishmania major trypanothione reductase 0.0103 0.2707 0.865
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.6963 0.8837
Loa Loa (eye worm) thioredoxin reductase 0.0103 0.2707 0.3605
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0261 0.7809 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0036 0.0536 0.0716

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5012 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 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) 2.5119 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) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.3587 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) = 4.4668 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) 5.0119 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 17.7828 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) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 31.6228 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 141.2538 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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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