Detailed information for compound 1467765

Basic information

Technical information
  • TDR Targets ID: 1467765
  • Name: 5-(bromomethyl)-N-(3-nitrophenyl)-4,5-dihydro -1,3-thiazol-2-amine
  • MW: 316.174 | Formula: C10H10BrN3O2S
  • H donors: 1 H acceptors: 2 LogP: 2.38 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: BrCC1CN=C(S1)Nc1cccc(c1)[N+](=O)[O-]
  • InChi: 1S/C10H10BrN3O2S/c11-5-9-6-12-10(17-9)13-7-2-1-3-8(4-7)14(15)16/h1-4,9H,5-6H2,(H,12,13)
  • InChiKey: BLUQFPZDFPZWAS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(bromomethyl)-N-(3-nitrophenyl)-4,5-dihydrothiazol-2-amine
  • [5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-(3-nitrophenyl)amine
  • SMR000425627
  • STOCK2S-15727
  • (5-Bromomethyl-4,5-dihydro-thiazol-2-yl)-(3-nitro-phenyl)-amine
  • MLS001030185

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana trypanothione 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
Brugia malayi 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
Echinococcus granulosus serine:threonine protein kinase PLK1 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
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
Trichomonas vaginalis CAMK family protein kinase 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
Trypanosoma congolense 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
Plasmodium knowlesi glutathione reductase, putative 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 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
Trypanosoma cruzi 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
Plasmodium knowlesi thioredoxin 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
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, 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
Leishmania major trypanothione 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
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica serine/threonine protein kinase, putative 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
Loa Loa (eye worm) 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) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii glutathione 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
Trypanosoma brucei trypanothione 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 japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium berghei thioredoxin 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
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
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Toxoplasma gondii thioredoxin 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
Cryptosporidium parvum thioredoxin reductase 1 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
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi 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
Echinococcus granulosus thioredoxin 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
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium falciparum thioredoxin reductase 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
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
Loa Loa (eye worm) glutathione reductase 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
Echinococcus multilocularis thioredoxin glutathione reductase 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
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
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 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
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, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
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 540 aa 23.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
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 %
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 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0012 0.0011
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0446 0.028 0.3338
Trichomonas vaginalis PIKK family atypical protein kinase 0.0219 0.0124 0.155
Loa Loa (eye worm) hypothetical protein 0.041 0.0255 0.3389
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.027 0.0158 0.2046
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1089 0.0722 0.1974
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1108 0.0735 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0234 0.0134 0.0361
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1108 0.0735 0.2097
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0051 0.0039
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0219 0.0124 0.1588
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.027 0.0158 0.0147
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.027 0.0158 0.1566
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.027 0.0158 0.2029
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1128 0.0749 0.0738
Leishmania major phosphatidylinositol 3-kinase, putative 0.1078 0.0715 0.1954
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.027 0.0158 0.0147
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0615 0.0396 0.0384
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0333 0.0202 0.2199
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.027 0.0158 0.0433
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1108 0.0735 0.0724
Trichomonas vaginalis PIKK family atypical protein kinase 0.109 0.0723 0.9829
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0219 0.0124 0.1653
Trichomonas vaginalis PIKK family atypical protein kinase 0.1078 0.0715 0.9721
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0629 0.0406 0.5467
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0219 0.0124 0.0333
Trichomonas vaginalis PIKK family atypical protein kinase 0.1096 0.0727 0.9893
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0605 0.0389 0.4939
Trichomonas vaginalis PIKK family atypical protein kinase 0.1099 0.0729 0.9914
Plasmodium falciparum phosphatidylinositol 3-kinase 0.027 0.0158 1
Mycobacterium leprae conserved hypothetical protein 0.0219 0.0124 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1128 0.0749 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0333 0.0202 0.2609
Loa Loa (eye worm) hypothetical protein 0.0219 0.0124 0.1588
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0219 0.0124 0.0112
Trichomonas vaginalis PIKK family atypical protein kinase 0.0633 0.0408 0.5481
Entamoeba histolytica hypothetical protein 0.0629 0.0406 0.5182
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0219 0.0124 0.155
Trichomonas vaginalis PIKK family atypical protein kinase 0.1078 0.0715 0.9721
Loa Loa (eye worm) hypothetical protein 0.0429 0.0268 0.3571
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0012 0.005
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.027 0.0158 0.0147
Loa Loa (eye worm) cytochrome P450 family protein 0.0109 0.0048 0.0545
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0219 0.0124 0.0112
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0169 0.0089 0.1092
Trichomonas vaginalis PIKK family atypical protein kinase 0.1096 0.0727 0.9893
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0542 0.0346 0.4307
Loa Loa (eye worm) hypothetical protein 0.0683 0.0443 0.598
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0605 0.0389 0.5217
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0062 0.4506
Trichomonas vaginalis PIKK family atypical protein kinase 0.0703 0.0457 0.6155
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.027 0.0158 0.2046
Trichomonas vaginalis PIKK family atypical protein kinase 0.1096 0.0727 0.9893
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0219 0.0124 0.106
Trypanosoma cruzi hypothetical protein, conserved 0.5087 0.3474 1
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.027 0.0158 0.2064
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1128 0.0749 0.2137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0633 0.0408 0.5481
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0333 0.0202 0.2692
Trichomonas vaginalis PIKK family atypical protein kinase 0.1078 0.0715 0.9721
Leishmania major trypanothione reductase 0.0057 0.0012 0.001
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0333 0.0202 0.2199
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0629 0.0406 0.1146
Giardia lamblia GTOR 0.1108 0.0735 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0333 0.0202 0.2659
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0051 0.0548
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0072 0.5402
Trichomonas vaginalis PIKK family atypical protein kinase 0.1087 0.0721 0.9807
Toxoplasma gondii target of rapamycin (TOR), putative 0.1096 0.0727 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1078 0.0715 0.9721
Trichomonas vaginalis PIKK family atypical protein kinase 0.1087 0.0721 0.9807
Loa Loa (eye worm) phosphatidylinositol 3 0.0113 0.0051 0.0581
Trichomonas vaginalis conserved hypothetical protein 0.0683 0.0443 0.5962
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0219 0.0124 0.1562
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 1.457 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0113 0.0051 0.0122
Loa Loa (eye worm) glutathione reductase 0.0057 0.0012 0.005
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.041 0.0255 0.0711
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0333 0.0202 0.2626
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0072 0.163
Mycobacterium tuberculosis Conserved hypothetical protein 0.0219 0.0124 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0605 0.0389 0.5217
Trichomonas vaginalis PIKK family atypical protein kinase 0.1087 0.0721 0.9807
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.027 0.0158 0.2064
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0051 0.0548
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0219 0.0124 0.1562
Trichomonas vaginalis PIKK family atypical protein kinase 0.1087 0.0721 0.9807
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0385 0.0238 0.2731
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0219 0.0124 0.1558
Trichomonas vaginalis PIKK family atypical protein kinase 0.1087 0.0721 0.9807
Toxoplasma gondii FATC domain-containing protein 0.0629 0.0406 0.5503
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1128 0.0749 0.2137
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0774 0.0506 0.0494
Trichomonas vaginalis PIKK family atypical protein kinase 0.0228 0.013 0.1636
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.0051 0.0119
Echinococcus granulosus serine protein kinase ATM 0.0629 0.0406 0.0394
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1108 0.0735 0.0724
Schistosoma mansoni phosphatidylinositol 4-kinase 0.027 0.0158 0.2115
Giardia lamblia Hypothetical protein 0.0219 0.0124 0.106
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0429 0.0268 0.0256
Brugia malayi Cytochrome P450 family protein 0.0109 0.0048 0.0535
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0051 0.0124
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1099 0.0729 0.1992
Trichomonas vaginalis PIKK family atypical protein kinase 0.1108 0.0735 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0625 0.0403 0.5144
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0509 0.0323 0.4301
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0219 0.0124 0.1653
Trichomonas vaginalis PIKK family atypical protein kinase 0.1096 0.0727 0.9893
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0333 0.0202 0.2626
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0615 0.0396 0.1118
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0052 0.0008 0.5
Loa Loa (eye worm) hypothetical protein 0.0464 0.0292 0.3902
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1108 0.0735 0.9814
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0051 0.0548
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0219 0.0124 0.7634
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0219 0.0124 0.0112
Echinococcus multilocularis serine protein kinase ATM 0.0629 0.0406 0.0394
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0219 0.0124 0.7634
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0219 0.0124 0.0333
Schistosoma mansoni hypothetical protein 0.0464 0.0292 0.3898
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1108 0.0735 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.027 0.0158 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1096 0.0727 0.9893
Loa Loa (eye worm) hypothetical protein 0.0615 0.0396 0.5331
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0237 0.0136 0.1758
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0605 0.0389 0.5217
Trichomonas vaginalis PIKK family atypical protein kinase 0.1089 0.0722 0.9821
Entamoeba histolytica hypothetical protein 0.0219 0.0124 0.106
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0429 0.0268 0.3504
Entamoeba histolytica hypothetical protein 0.0542 0.0346 0.4307
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0051 0.0579
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0333 0.0202 0.0558
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0072 0.5402
Trichomonas vaginalis PIKK family atypical protein kinase 0.1096 0.0727 0.9893
Loa Loa (eye worm) phosphatidylinositol 3 0.0219 0.0124 0.1588
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0219 0.0124 0.0333
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0051 0.0548
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1108 0.0735 0.9816
Loa Loa (eye worm) phosphatidylinositol 3 0.1108 0.0735 1
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0219 0.0124 0.7634
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0051 0.0548
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0333 0.0202 0.2626
Leishmania major phosphatidylinositol kinase related protein, putative 0.0234 0.0134 0.0346
Trichomonas vaginalis conserved hypothetical protein 0.0395 0.0245 0.3223
Trichomonas vaginalis conserved hypothetical protein 0.0464 0.0292 0.3874
Loa Loa (eye worm) phosphatidylinositol 3 0.0219 0.0124 0.1588
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0219 0.0124 0.7634
Trichomonas vaginalis PIKK family atypical protein kinase 0.0635 0.041 0.5503
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0062 0.4506
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0683 0.0443 0.6024
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1128 0.0749 1
Leishmania major hypothetical protein, unknown function 0.0219 0.0124 0.0319
Trichomonas vaginalis PIKK family atypical protein kinase 0.0615 0.0396 0.531
Trichomonas vaginalis PIKK family atypical protein kinase 0.1099 0.0729 0.9914
Trichomonas vaginalis PIKK family atypical protein kinase 0.1099 0.0729 0.9914
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0219 0.0124 0.0112
Trichomonas vaginalis PIKK family atypical protein kinase 0.0625 0.0403 0.541
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0072 0.5402
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0051 0.0039
Entamoeba histolytica protein kinase rad3, putative 0.0615 0.0396 0.5038
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1108 0.0735 0.2097
Leishmania major phosphatidylinositol 4-kinase, putative 0.0219 0.0124 0.0319
Schistosoma mansoni hypothetical protein 0.0219 0.0124 0.1653
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0219 0.0124 0.7634
Trypanosoma cruzi target of rapamycin kinase 3 0.1099 0.0729 0.2079
Loa Loa (eye worm) phosphatidylinositol 3 0.0219 0.0124 0.1588
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1108 0.0735 1
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.027 0.0158 0.0415
Trichomonas vaginalis PIKK family atypical protein kinase 0.1108 0.0735 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0219 0.0124 0.155
Schistosoma mansoni fkbp-rapamycin associated protein 0.0615 0.0396 0.5285
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.027 0.0158 0.2026
Trichomonas vaginalis PIKK family atypical protein kinase 0.1087 0.0721 0.9807
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.027 0.0158 0.0433
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.027 0.0158 0.1566
Leishmania major phosphatidylinositol kinase, putative 0.0219 0.0124 0.0319
Plasmodium vivax hypothetical protein 0.0219 0.0124 0.7634
Trichomonas vaginalis PIKK family atypical protein kinase 0.1099 0.0729 0.9914
Loa Loa (eye worm) phosphatidylinositol 3 0.0219 0.0124 0.1588
Trichomonas vaginalis PIKK family atypical protein kinase 0.1096 0.0727 0.9893
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1099 0.0729 0.9915
Loa Loa (eye worm) phosphatidylinositol 3 0.1089 0.0722 0.9822
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0219 0.0124 0.0112
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1108 0.0735 0.2009
Trichomonas vaginalis PIKK family atypical protein kinase 0.1108 0.0735 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0692 0.0449 0.6065
Trypanosoma brucei polo-like protein kinase 0.0114 0.0051 0.059
Trypanosoma brucei trypanothione reductase 0.0057 0.0012 0.005
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0051 0.0124
Brugia malayi FAT domain containing protein 0.0464 0.0292 0.3829
Giardia lamblia Phosphatidylinositol 4-kinase 0.0219 0.0124 0.106
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0051 0.0685
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0605 0.0389 0.514
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0219 0.0124 0.1562
Trichomonas vaginalis PIKK family atypical protein kinase 0.0633 0.0408 0.5481
Entamoeba histolytica hypothetical protein 0.0219 0.0124 0.106
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0464 0.0292 0.028
Leishmania major hypothetical protein, conserved 0.5307 0.3625 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.027 0.0158 0.2029
Onchocerca volvulus 0.0219 0.0124 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0282 0.0167 0.1692
Trichomonas vaginalis PIKK family atypical protein kinase 0.0644 0.0416 0.5589
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0774 0.0506 0.0494
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.027 0.0158 0.2029
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0615 0.0396 0.0384
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0051 0.0548
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0429 0.0268 0.0256
Trichomonas vaginalis PIKK family atypical protein kinase 0.1087 0.0721 0.9807
Trichomonas vaginalis PIKK family atypical protein kinase 0.0219 0.0124 0.155
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0051 0.059
Onchocerca volvulus 0.0219 0.0124 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0051 0.0548
Schistosoma mansoni kinase 0.0058 0.0013 0.017
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0774 0.0506 0.675
Brugia malayi glutathione reductase 0.0057 0.0012 0.0049
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1108 0.0735 0.2009
Echinococcus multilocularis 0.0219 0.0124 0.0112
Leishmania major phosphatidylinositol 3-kinase, putative 0.027 0.0158 0.0415
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0605 0.0389 0.1098
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0509 0.0323 0.4301
Echinococcus multilocularis Zinc finger, PHD finger 0.027 0.0158 0.0147
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.027 0.0158 0.2115
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0062 0.4506
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0615 0.0396 0.5231
Trichomonas vaginalis PIKK family atypical protein kinase 0.1099 0.0729 0.9914
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0245 0.3223
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0062 0.4506
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0062 0.4506
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0366 0.0225 0.2536
Entamoeba histolytica hypothetical protein 0.0219 0.0124 0.106
Brugia malayi Thioredoxin reductase 0.0057 0.0012 0.0049
Loa Loa (eye worm) hypothetical protein 0.0176 0.0094 0.1177
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0464 0.0292 0.028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0629 0.0406 0.5446
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0605 0.0389 0.1098
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0219 0.0124 0.1558
Mycobacterium tuberculosis Probable reductase 0.013 0.0062 0.4506
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0219 0.0124 0.1588
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1108 0.0735 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.109 0.0723 0.9829
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1128 0.0749 0.0738
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1089 0.0722 0.9822
Plasmodium vivax hypothetical protein, conserved 0.0219 0.0124 0.7634
Loa Loa (eye worm) phosphatidylinositol kinase 0.0219 0.0124 0.1588
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0219 0.0124 0.1558
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0629 0.0406 0.5417
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0219 0.0124 0.0333
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0629 0.0406 0.5365
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1078 0.0715 0.9722
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0219 0.0124 0.1653
Loa Loa (eye worm) phosphatidylinositol 3 0.0711 0.0462 0.6246

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 58.969 uM PUBCHEM_BIOASSAY: Fluorescent Biochemical Primary HTS to Identify Inhibitors of P. aeruginosa PvdQ acylase Measured in Biochemical System Using Plate Reader and Imaging Combination - 2091-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488968] ChEMBL. No reference
Potency (functional) 11.9173 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) 19.9526 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) = 22.3872 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 (binding) 22.3872 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 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

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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