Detailed information for compound 1383474

Basic information

Technical information
  • TDR Targets ID: 1383474
  • Name: 2-(2-hydroxyethyl-methylamino)-5-nitrobenzoic acid
  • MW: 240.213 | Formula: C10H12N2O5
  • H donors: 2 H acceptors: 5 LogP: 0.72 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN(c1ccc(cc1C(=O)O)[N+](=O)[O-])C
  • InChi: 1S/C10H12N2O5/c1-11(4-5-13)9-3-2-7(12(16)17)6-8(9)10(14)15/h2-3,6,13H,4-5H2,1H3,(H,14,15)
  • InChiKey: PRDXIZPBPMAQDX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-hydroxyethyl-methyl-amino)-5-nitro-benzoic acid
  • Oprea1_062873
  • 2-[(2-hydroxyethyl)(methyl)amino]-5-nitrobenzoic acid
  • MLS000575627
  • SMR000196661

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi 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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma congolense 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
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax 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
Plasmodium falciparum thioredoxin 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
Leishmania mexicana trypanothione 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
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Plasmodium falciparum 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
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus thioredoxin glutathione reductase 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
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi 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
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
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 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
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 489 aa 22.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Leishmania donovani 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
Plasmodium vivax SET domain protein, putative 0.0037 0.0128 0.1806
Trichomonas vaginalis PIKK family atypical protein kinase 0.0265 0.1824 0.2976
Trichomonas vaginalis PIKK family atypical protein kinase 0.0198 0.1325 0.2162
Trichomonas vaginalis PIKK family atypical protein kinase 0.0131 0.0828 0.1351
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0932 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0301 0.2092 0.3414
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0042 0.0168 0.0683
Giardia lamblia GTOR 0.0348 0.2448 0.3996
Loa Loa (eye worm) hypothetical protein 0.0251 0.1725 0.1861
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0734 0.5322 0.8688
Trichomonas vaginalis PIKK family atypical protein kinase 0.0131 0.0828 0.1351
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0279 0.0278
Entamoeba histolytica protein kinase rad3, putative 0.0083 0.0472 0.0589
Trichomonas vaginalis CAMK family protein kinase 0.0842 0.6125 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.008 0.113
Trichomonas vaginalis PIKK family atypical protein kinase 0.0198 0.1327 0.2165
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0365 0.2574 0.4201
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.026 0.1788 0.2917
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0042 0.0168 0.0683
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0692 0.5008 0.939
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0001 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0198 0.1327 0.2165
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0279 0.0522
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.008 0.0324
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0042 0.0168 0.0314
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.008 0.113
Onchocerca volvulus 0.0287 0.1989 0.3122
Brugia malayi FAT domain containing protein 0.0048 0.021 0.0343
Brugia malayi Thioredoxin reductase 0.0057 0.0279 0.0455
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0042 0.0168 0.0167
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0279 0.0225
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0114 0.0703 0.1037
Brugia malayi CXXC zinc finger family protein 0.0035 0.0112 0.0183
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0042 0.0168 0.0314
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0001 0.0002
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0128 0.0127
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0114 0.0703 0.3851
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0734 0.5322 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0131 0.0828 0.0827
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0114 0.0703 0.2868
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0348 0.2448 0.3997
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0083 0.0472 0.1924
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0932 1
Leishmania major trypanothione reductase 0.0057 0.0279 0.1135
Mycobacterium tuberculosis Conserved hypothetical protein 0.0042 0.0168 0.1796
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0042 0.0168 0.0917
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0042 0.0168 0.2382
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0128 0.0127
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0483 0.3451 0.345
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0348 0.2448 0.4424
Trichomonas vaginalis PIKK family atypical protein kinase 0.0198 0.1325 0.2162
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.1467 0.2394
Plasmodium vivax hypothetical protein 0.0042 0.0168 0.2382
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0042 0.0168 0.0314
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0114 0.0703 0.1146
Loa Loa (eye worm) hypothetical protein 0.018 0.1197 0.1264
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0114 0.0703 0.1147
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0824 0.8837
Loa Loa (eye worm) phosphatidylinositol 3 0.0042 0.0168 0.0099
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0042 0.0168 0.0273
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0042 0.0168 0.0167
Trichomonas vaginalis PIKK family atypical protein kinase 0.0198 0.1327 0.2165
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0001 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0217 0.1473 0.2766
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0628 0.4532 0.7398
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0042 0.0168 0.0275
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0734 0.5322 0.8689
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0114 0.0703 0.0702
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0348 0.2448 0.4599
Loa Loa (eye worm) hypothetical protein 0.0048 0.021 0.0147
Brugia malayi Pre-SET motif family protein 0.0252 0.1731 0.2826
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0932 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0001 0.5
Loa Loa (eye worm) hypothetical protein 0.0483 0.3451 0.3815
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0511 0.3659 0.5972
Toxoplasma gondii thioredoxin reductase 0.0057 0.0279 0.1524
Toxoplasma gondii FATC domain-containing protein 0.0083 0.0472 0.2584
Schistosoma mansoni cpg binding protein 0.0035 0.0112 0.0111
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0042 0.0168 0.0167
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0157 0.0255
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0042 0.0168 0.0167
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0842 0.6125 0.6125
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0131 0.0828 0.338
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0001 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.1467 0.2394
Loa Loa (eye worm) hypothetical protein 0.018 0.1197 0.1264
Trichomonas vaginalis PIKK family atypical protein kinase 0.0131 0.0828 0.1351
Leishmania major phosphatidylinositol 4-kinase, putative 0.0042 0.0168 0.0683
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0114 0.0703 0.1146
Giardia lamblia Phosphatidylinositol 4-kinase 0.0042 0.0168 0.0273
Trichomonas vaginalis PIKK family atypical protein kinase 0.0131 0.0828 0.1351
Trichomonas vaginalis PIKK family atypical protein kinase 0.0265 0.1824 0.2976
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.0824 0.8583
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.026 0.1788 0.2918
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0511 0.3659 0.5972
Leishmania major hypothetical protein, unknown function 0.0042 0.0168 0.0683
Schistosoma mansoni cpg binding protein 0.0037 0.0127 0.0126
Leishmania major hypothetical protein, conserved 0.003 0.008 0.0324
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0337 0.2366 0.4265
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0842 0.6125 0.6125
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0824 0.8837
Loa Loa (eye worm) hypothetical protein 0.0067 0.035 0.0306
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0083 0.0472 0.077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0198 0.1327 0.2165
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0131 0.0828 0.1555
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.026 0.1788 0.3357
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0176 0.1163 0.475
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0114 0.0703 0.0705
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0042 0.0168 0.2382
Trichomonas vaginalis PIKK family atypical protein kinase 0.0281 0.1949 0.3181
Trichomonas vaginalis PIKK family atypical protein kinase 0.0265 0.1824 0.2976
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0131 0.0828 0.0827
Brugia malayi Protein kinase domain containing protein 0.0842 0.6125 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.0472 0.0769
Leishmania major phosphatidylinositol 3-kinase, putative 0.0131 0.0828 0.338
Giardia lamblia Kinase, TTK 0.0842 0.6125 1
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0042 0.0168 0.0167
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0083 0.0472 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.0265 0.1824 0.2976
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0932 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.026 0.1788 0.3142
Plasmodium vivax glutathione reductase, putative 0.0057 0.0279 0.3959
Toxoplasma gondii target of rapamycin (TOR), putative 0.0265 0.1824 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0042 0.0168 0.0167
Onchocerca volvulus 0.0042 0.0168 0.0094
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0128 0.0695
Echinococcus granulosus muscleblind protein 0.018 0.1197 0.1196
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.026 0.1788 0.2917
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0042 0.0168 0.0167
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0734 0.5322 0.8688
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.026 0.1788 0.1787
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0483 0.3451 0.345
Echinococcus multilocularis cpg binding protein 0.0037 0.0127 0.0126
Brugia malayi Muscleblind-like protein 0.018 0.1197 0.1954
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0128 0.0127
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0348 0.2448 0.4599
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0348 0.2448 1
Trypanosoma brucei trypanothione reductase 0.0057 0.0279 0.1135
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.021 0.0341
Loa Loa (eye worm) hypothetical protein 0.009 0.0525 0.0503
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0083 0.0472 0.0471
Leishmania major phosphatidylinositol 3-kinase, putative 0.0114 0.0703 0.2868
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.008 0.0435
Trichomonas vaginalis PIKK family atypical protein kinase 0.0265 0.1824 0.2976
Loa Loa (eye worm) TTK protein kinase 0.0842 0.6125 0.6842
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0114 0.0703 0.2868
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0112 0.0036
Loa Loa (eye worm) hypothetical protein 0.0042 0.0168 0.0099
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.008 0.0149
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0042 0.0168 0.0275
Onchocerca volvulus 0.0042 0.0168 0.0094
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.026 0.1788 0.2917
Loa Loa (eye worm) phosphatidylinositol 3 0.0348 0.2448 0.268
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.0472 0.0769
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0282 0.1951 0.797
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0083 0.0472 0.0885
Leishmania major hypothetical protein, conserved 0.0042 0.0168 0.0683
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0131 0.0828 0.1555
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0114 0.0703 0.1146
Echinococcus granulosus serine protein kinase ATM 0.0083 0.0472 0.0471
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0131 0.0828 0.0827
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.026 0.1788 0.3142
Echinococcus multilocularis muscleblind protein 0.018 0.1197 0.1196
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0114 0.0703 1
Onchocerca volvulus 0.0037 0.0128 0.0026
Loa Loa (eye worm) hypothetical protein 0.0083 0.0472 0.0443
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0042 0.0168 0.0275
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0083 0.0472 0.0471
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.1731 0.1868
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0042 0.0168 0.0917
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.026 0.1788 0.7301
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0168 0.0273
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0168 0.0273
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0824 0.8837
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.2448 0.3996
Treponema pallidum NADH oxidase 0.002 0.0001 0.5
Schistosoma mansoni hypothetical protein 0.0048 0.021 0.0209
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0734 0.5322 0.8688
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0042 0.0168 0.0167
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0483 0.3451 0.5634
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0734 0.5322 1
Loa Loa (eye worm) glutathione reductase 0.0057 0.0279 0.0225
Trichomonas vaginalis PIKK family atypical protein kinase 0.0265 0.1824 0.2976
Trichomonas vaginalis PIKK family atypical protein kinase 0.0265 0.1824 0.2976
Trichomonas vaginalis PIKK family atypical protein kinase 0.0234 0.1593 0.26
Loa Loa (eye worm) phosphatidylinositol 3 0.0217 0.1473 0.1576
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0824 0.8837
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.1467 0.2394
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0114 0.0703 0.1319
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0042 0.0168 0.2382
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0042 0.0168 0.2382
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0348 0.2448 0.2447
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0114 0.0703 0.3851
Plasmodium falciparum glutathione reductase 0.0057 0.0279 0.3959
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0842 0.6125 0.6125
Loa Loa (eye worm) phosphatidylinositol 3 0.1217 0.8915 1
Entamoeba histolytica hypothetical protein 0.0083 0.0472 0.0589
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0282 0.1951 0.797
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0114 0.0703 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0188 0.1253 0.2044
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0348 0.2448 1
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0168 0.2382
Echinococcus multilocularis serine protein kinase ATM 0.0083 0.0472 0.0471
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.2448 0.3996
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0114 0.0703 0.0702
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0411 0.041
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1363 1 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0128 0.0127
Loa Loa (eye worm) phosphatidylinositol 3 0.0042 0.0168 0.0099
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0114 0.0703 0.1037
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0112 0.0111
Loa Loa (eye worm) phosphatidylinositol 3 0.0042 0.0168 0.0099
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0348 0.2448 0.2447
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0114 0.0703 0.1319
Echinococcus granulosus cpg binding protein 0.0037 0.0127 0.0126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0131 0.0828 0.1351
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0114 0.0703 0.0702
Trypanosoma cruzi target of rapamycin kinase 3 0.0282 0.1951 0.3665
Loa Loa (eye worm) phosphatidylinositol 3 0.0131 0.0828 0.0847
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0042 0.0168 0.0273
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0042 0.0168 0.0314
Trichomonas vaginalis PIKK family atypical protein kinase 0.0281 0.1949 0.3181
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0279 0.3959
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0042 0.0168 0.2382
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0042 0.0168 0.0167
Trichomonas vaginalis PIKK family atypical protein kinase 0.0281 0.1949 0.3181
Plasmodium falciparum thioredoxin reductase 0.0057 0.0279 0.3959
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.2448 0.3996
Schistosoma mansoni cpg binding protein 0.0037 0.0127 0.0126
Loa Loa (eye worm) phosphatidylinositol 3 0.0042 0.0168 0.0099
Leishmania major phosphatidylinositol kinase, putative 0.0042 0.0168 0.0683
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0128 0.0127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0241 0.1646 0.2685
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0348 0.2448 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0131 0.0828 0.1352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0215 0.1453 0.237
Trichomonas vaginalis conserved hypothetical protein 0.009 0.0525 0.0855
Entamoeba histolytica hypothetical protein 0.0589 0.4237 0.7895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0281 0.1949 0.3181
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1363 1 1
Brugia malayi hypothetical protein 0.003 0.008 0.0131
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0114 0.0703 0.0702
Brugia malayi Pre-SET motif family protein 0.0037 0.0128 0.0209
Leishmania major phosphatidylinositol kinase related protein, putative 0.0042 0.0168 0.0683
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0348 0.2448 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.1197 0.1196
Trichomonas vaginalis CAMK family protein kinase 0.0842 0.6125 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0048 0.021 0.0209
Trichomonas vaginalis set domain proteins, putative 0.0287 0.1989 0.3247
Brugia malayi glutathione reductase 0.0057 0.0279 0.0455
Trichomonas vaginalis PIKK family atypical protein kinase 0.0281 0.1949 0.3181
Loa Loa (eye worm) hypothetical protein 0.0041 0.0157 0.0087
Loa Loa (eye worm) phosphatidylinositol kinase 0.0042 0.0168 0.0099
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0131 0.0828 0.338
Toxoplasma gondii non-specific serine/threonine protein kinase 0.009 0.0525 0.2872
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0131 0.0828 0.338
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0114 0.0703 0.0702
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0083 0.0472 0.0471
Echinococcus multilocularis Zinc finger, PHD finger 0.0114 0.0703 0.0702
Giardia lamblia Hypothetical protein 0.0042 0.0168 0.0273
Schistosoma mansoni fkbp-rapamycin associated protein 0.0083 0.0472 0.0471
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.0472 0.0769
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0734 0.5322 1
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0048 0.021 0.0209
Schistosoma mansoni hypothetical protein 0.0042 0.0168 0.0167
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0824 0.8837
Loa Loa (eye worm) hypothetical protein 0.0037 0.0128 0.0054
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0001 0.5
Mycobacterium tuberculosis Probable reductase 0.013 0.0824 0.8837
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0157 0.0255
Trichomonas vaginalis PIKK family atypical protein kinase 0.0215 0.1453 0.237
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0083 0.0472 0.077
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0157 0.1023 0.4177
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0042 0.0168 0.0917
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0083 0.0472 0.0885
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0001 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0128 0.0127
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.008 0.113
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.0665 0.1084
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0348 0.2448 0.2447
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0353 0.193
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0279 0.2985
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0042 0.0168 0.0314
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0128 0.0127
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0589 0.4237 0.7895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0198 0.1325 0.2162
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0042 0.0168 0.0167
Echinococcus multilocularis 0.0042 0.0168 0.0167
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0348 0.2448 0.4424
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0041 0.0157 0.0294
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0279 0.0278
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.008 0.0149
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0842 0.6125 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 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) 11.2202 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) 11.6891 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 (binding) 17.7828 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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