Detailed information for compound 1889095

Basic information

Technical information
  • TDR Targets ID: 1889095
  • Name: N-[(2,4-dimethoxyphenyl)methylideneamino]-2-m ethylpropan-2-amine hydrochloride
  • MW: 272.771 | Formula: C13H21ClN2O2
  • H donors: 1 H acceptors: 0 LogP: 3.71 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)ccc1/C=N/NC(C)(C)C.Cl
  • InChi: 1S/C13H20N2O2.ClH/c1-13(2,3)15-14-9-10-6-7-11(16-4)8-12(10)17-5;/h6-9,15H,1-5H3;1H/b14-9+;
  • InChiKey: OZGYHOATXXNKAK-KYIGKLDSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2,4-dimethoxyphenyl)methyleneamino]-2-methyl-propan-2-amine hydrochloride
  • N-[(2,4-dimethoxyphenyl)methyleneamino]-2-methylpropan-2-amine hydrochloride
  • tert-butyl-[(2,4-dimethoxybenzylidene)amino]amine hydrochloride
  • N-[(2,4-dimethoxyphenyl)methylideneamino]-2-methyl-propan-2-amine hydrochloride
  • T0507-0457

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative 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
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii thioredoxin 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
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative 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
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) glutathione 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
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
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 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
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 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0177 0.02
Loa Loa (eye worm) hypothetical protein 0.2793 0.3861 0.934
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0055 0.0133
Echinococcus multilocularis musashi 0.0033 0.0021 0.0046
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0325 0.0787
Toxoplasma gondii histone lysine-specific demethylase 0.0946 0.1291 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0021 0.0051
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0374 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0177 0.0178
Plasmodium vivax hypothetical protein, conserved 0.0946 0.1291 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0021 0.0046
Echinococcus multilocularis lamin dm0 0.0033 0.0021 0.0046
Brugia malayi glutathione reductase 0.0057 0.0055 0.0133
Schistosoma mansoni amine oxidase 0.0946 0.1291 0.3338
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0946 0.1291 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0003 0.5
Schistosoma mansoni Lysine-specific histone demethylase 1 0.2793 0.3861 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0026 0.0176
Echinococcus multilocularis lamin 0.0033 0.0021 0.0046
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0026 0.0059
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0078 0.0074
Schistosoma mansoni lamin 0.0033 0.0021 0.0046
Loa Loa (eye worm) hypothetical protein 0.2793 0.3861 0.934
Echinococcus multilocularis 0.0946 0.1291 0.3338
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0946 0.1291 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0055 0.006
Onchocerca volvulus 0.2989 0.4134 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0078 0.0193
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0157 0.0177
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0157 0.0177
Trypanosoma brucei trypanothione reductase 0.0057 0.0055 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0026 0.0059
Entamoeba histolytica SWIRM domain protein 0.0196 0.0249 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0196 0.0249 0.6624
Giardia lamblia hypothetical protein 0.0196 0.0249 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0026 0.0063
Schistosoma mansoni lamin 0.0033 0.0021 0.0046
Echinococcus granulosus lamin dm0 0.0033 0.0021 0.0046
Toxoplasma gondii SWIRM domain-containing protein 0.0196 0.0249 0.1905
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0946 0.1291 0.1288
Brugia malayi Thioredoxin reductase 0.0057 0.0055 0.0133
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.6261 0.8685 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0021 0.0051
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0157 0.0177
Trichomonas vaginalis conserved hypothetical protein 0.0196 0.0249 0.6624
Plasmodium falciparum thioredoxin reductase 0.0057 0.0055 0.0403
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0078 0.0193
Mycobacterium ulcerans monoamine oxidase 0.0946 0.1291 0.1288
Loa Loa (eye worm) hypothetical protein 0.0033 0.0021 0.0051
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0078 0.0074
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0078 0.0074
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0003 0.0008
Echinococcus granulosus lysine specific histone demethylase 1A 0.0946 0.1291 0.3338
Plasmodium vivax hypothetical protein, conserved 0.0946 0.1291 1
Entamoeba histolytica SWIRM domain protein 0.0196 0.0249 0.5
Leishmania major trypanothione reductase 0.0057 0.0055 0.0403
Echinococcus granulosus SWI:SNF complex subunit SMARCC2 0.0196 0.0249 0.0636
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0055 0.0403
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0078 0.0193
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.7207 1 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0946 0.1291 1
Echinococcus multilocularis SWI:SNF complex subunit SMARCC2 0.0196 0.0249 0.0636
Schistosoma mansoni intermediate filament proteins 0.0033 0.0021 0.0046
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0026 0.0059
Loa Loa (eye worm) glutathione reductase 0.0057 0.0055 0.0133
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0946 0.1291 1
Brugia malayi SWIRM domain containing protein 0.0196 0.0249 0.0601
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0946 0.1291 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0026 0.0059
Mycobacterium ulcerans oxidoreductase 0.0946 0.1291 0.1288
Toxoplasma gondii thioredoxin reductase 0.0057 0.0055 0.0403
Brugia malayi intermediate filament protein 0.0033 0.0021 0.0051
Brugia malayi Pre-SET motif family protein 0.0036 0.0026 0.0063
Brugia malayi hypothetical protein 0.0946 0.1291 0.3123
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0157 0.0177
Loa Loa (eye worm) hypothetical protein 0.1142 0.1564 0.3783
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0078 0.0193
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0177 0.02
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0026 0.0059
Loa Loa (eye worm) hypothetical protein 0.2989 0.4134 1
Schistosoma mansoni SWI/SNF complex-related 0.0196 0.0249 0.0636
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0024 0.0054
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0078 0.0578
Echinococcus granulosus lysine specific histone demethylase 1A 0.2793 0.3861 1
Onchocerca volvulus 0.0286 0.0374 0.0857
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0003 0.5
Loa Loa (eye worm) hypothetical protein 0.0196 0.0249 0.0601
Mycobacterium tuberculosis Possible oxidoreductase 0.0946 0.1291 0.1483
Mycobacterium tuberculosis Probable reductase 0.013 0.0157 0.0177
Brugia malayi amine oxidase, flavin-containing family protein 0.1142 0.1564 0.3783
Plasmodium falciparum protoporphyrinogen oxidase 0.0946 0.1291 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0946 0.1291 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0177 0.02
Loa Loa (eye worm) hypothetical protein 0.0032 0.002 0.0049
Onchocerca volvulus 0.0036 0.0026 0.0012
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0055 0.0135
Plasmodium falciparum glutathione reductase 0.0057 0.0055 0.0403
Mycobacterium ulcerans dehydrogenase 0.0946 0.1291 0.1288
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0946 0.1291 0.3338
Echinococcus granulosus lamin 0.0033 0.0021 0.0046
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0026 0.0176
Schistosoma mansoni amine oxidase 0.0946 0.1291 0.3338
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0946 0.1291 1
Leishmania major UDP-galactopyranose mutase 0.0946 0.1291 1
Brugia malayi SWIRM domain containing protein 0.2989 0.4134 1
Loa Loa (eye worm) hypothetical protein 0.0946 0.1291 0.3123
Entamoeba histolytica hypothetical protein 0.0196 0.0249 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0946 0.1291 1
Brugia malayi Pre-SET motif family protein 0.0251 0.0325 0.0787
Plasmodium vivax glutathione reductase, putative 0.0057 0.0055 0.0403
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0157 0.0177
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0946 0.1291 1
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0055 0.0403
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0078 0.0086
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0021 0.0051
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0026 0.0059
Echinococcus multilocularis lysine specific histone demethylase 1A 0.2793 0.3861 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0026 0.0059
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0055 0.0135
Mycobacterium tuberculosis Conserved hypothetical protein 0.0946 0.1291 0.1483
Loa Loa (eye worm) hypothetical protein 0.0946 0.1291 0.3123
Echinococcus multilocularis protoporphyrinogen oxidase 0.0946 0.1291 0.3338
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0078 0.0578
Treponema pallidum NADH oxidase 0.002 0.0003 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.4467 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) 12.5893 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) = 19.9526 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) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 56.2341 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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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