Detailed information for compound 1244285

Basic information

Technical information
  • TDR Targets ID: 1244285
  • Name: N4-(2,5-dimethoxyphenyl)-N2-methyl-5-nitro-N2 -phenylpyrimidine-2,4,6-triamine
  • MW: 396.4 | Formula: C19H20N6O4
  • H donors: 2 H acceptors: 4 LogP: 4.62 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N(c1ccccc1)C)OC
  • InChi: 1S/C19H20N6O4/c1-24(12-7-5-4-6-8-12)19-22-17(20)16(25(26)27)18(23-19)21-14-11-13(28-2)9-10-15(14)29-3/h4-11H,1-3H3,(H3,20,21,22,23)
  • InChiKey: YZLCGDFOIQMDQH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N4-(2,5-dimethoxyphenyl)-N2-methyl-5-nitro-N2-phenyl-pyrimidine-2,4,6-triamine
  • [4-amino-6-[(2,5-dimethoxyphenyl)amino]-5-nitro-pyrimidin-2-yl]-methyl-phenyl-amine
  • ZINC05489830

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
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
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus thioredoxin glutathione 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
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
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
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium hominis thioredoxin 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
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis thioredoxin 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
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Theileria parva thioredoxin reductase, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
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 %
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 483 aa 23.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
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 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania donovani 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 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
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 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
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 %
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 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania major 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
Loa Loa (eye worm) hypothetical protein 0.0035 0.0973 0.1198
Echinococcus granulosus intermediate filament protein 0.0032 0.0808 0.0679
Brugia malayi PHD-finger family protein 0.003 0.0696 0.0856
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2969 0.287
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0139 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0808 0.0994
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0139 0.034
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1719 0.1603
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0222 0.0274
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.2158 1
Schistosoma mansoni lamin 0.0032 0.0808 0.0745
Onchocerca volvulus Alhambra homolog 0.0035 0.0973 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.077 0.3359
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.1499 0.1441
Brugia malayi Bromodomain containing protein 0.0091 0.3969 0.4886
Echinococcus granulosus flap endonuclease 1 0.0031 0.077 0.064
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.0139 0.034
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0139 0.034
Loa Loa (eye worm) hypothetical protein 0.0046 0.1575 0.1939
Echinococcus multilocularis zinc finger protein 0.0024 0.0347 0.0211
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.6116 0.8837
Brugia malayi Muscleblind-like protein 0.0167 0.8123 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0973 0.4132
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0973 0.4132
Echinococcus granulosus muscleblind protein 0.0167 0.8123 0.8097
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0139 0.0171
Schistosoma mansoni jumonji domain containing protein 0.0092 0.4025 0.3984
Brugia malayi glutathione reductase 0.0057 0.2158 0.2656
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0973 0.0911
Brugia malayi PHD-finger family protein 0.0035 0.0973 0.1198
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.2158 1
Giardia lamblia PHD finger protein 15 0.0035 0.0973 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.1416 0.1295
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0139 0.034
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0139 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.6902 1
Loa Loa (eye worm) glutathione reductase 0.0057 0.2158 0.2656
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0139 0.034
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.077 0.3359
Plasmodium falciparum thioredoxin reductase 0.0057 0.2158 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0973 0.1198
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1719 0.1603
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0808 0.0994
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.1499 0.1379
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0139 0.034
Brugia malayi intermediate filament protein 0.0032 0.0808 0.0994
Mycobacterium tuberculosis Probable reductase 0.013 0.6116 0.8837
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.077 0.3125
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0139 0.5
Toxoplasma gondii thioredoxin reductase 0.0057 0.2158 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0182 0.0115
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.6116 0.8837
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0139 0.034
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0808 0.0994
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.2158 0.2985
Echinococcus multilocularis muscleblind protein 1 0.0167 0.8123 0.8097
Brugia malayi Bromodomain containing protein 0.0046 0.1571 0.1933
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.3001 0.3695
Plasmodium falciparum phd finger protein, putative 0.0035 0.0973 0.4132
Loa Loa (eye worm) hypothetical protein 0.0021 0.0182 0.0224
Loa Loa (eye worm) hypothetical protein 0.006 0.2334 0.2873
Schistosoma mansoni flap endonuclease-1 0.0028 0.0606 0.0542
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0973 0.0846
Schistosoma mansoni bromodomain containing protein 0.0076 0.3203 0.3157
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.0139 0.034
Echinococcus multilocularis muscleblind protein 0.0167 0.8123 0.8097
Echinococcus multilocularis lamin 0.0032 0.0808 0.0679
Schistosoma mansoni hypothetical protein 0.0025 0.0416 0.0351
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0139 0.034
Leishmania major trypanothione reductase 0.0057 0.2158 1
Schistosoma mansoni zinc finger protein 0.0024 0.0347 0.0281
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0139 0.034
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.077 0.7562
Plasmodium falciparum flap endonuclease 1 0.0031 0.077 0.3125
Plasmodium falciparum glutathione reductase 0.0057 0.2158 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0182 0.0044
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.2158 0.2656
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0182 0.0115
Loa Loa (eye worm) hypothetical protein 0.0167 0.8123 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0182 0.0044
Loa Loa (eye worm) hypothetical protein 0.0052 0.1855 0.2283
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0182 0.0044
Echinococcus multilocularis lamin dm0 0.0032 0.0808 0.0679
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.1499 0.1441
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.6902 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0808 0.0994
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0139 0.034
Brugia malayi Bromodomain containing protein 0.0038 0.1128 0.1388
Plasmodium vivax glutathione reductase, putative 0.0057 0.2158 1
Brugia malayi Flap endonuclease-1 0.0031 0.077 0.0947
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.2158 0.2047
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0139 0.034
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.6116 0.8837
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.1416 0.1295
Loa Loa (eye worm) hypothetical protein 0.0032 0.0776 0.0955
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0182 0.0115
Echinococcus granulosus lamin dm0 0.0032 0.0808 0.0679
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0416 0.0512
Echinococcus granulosus lamin 0.0032 0.0808 0.0679
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0139 0.034
Loa Loa (eye worm) hypothetical protein 0.0049 0.173 0.213
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0973 0.0846
Schistosoma mansoni hypothetical protein 0.0035 0.0973 0.0911
Echinococcus granulosus zinc finger protein 0.0024 0.0347 0.0211
Entamoeba histolytica Flap nuclease, putative 0.0031 0.077 0.5
Brugia malayi Thioredoxin reductase 0.0057 0.2158 0.2656
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.6116 0.8837
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0973 0.4132
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.6902 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0139 0.0072
Brugia malayi jmjC domain containing protein 0.0045 0.1499 0.1845
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2969 0.287
Loa Loa (eye worm) hypothetical protein 0.0085 0.3689 0.4541
Trypanosoma brucei trypanothione reductase 0.0057 0.2158 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.6902 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0541 0.0408
Schistosoma mansoni lamin 0.0032 0.0808 0.0745
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0139 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.5307 0.5241
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.077 0.3125
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0541 0.0477
Schistosoma mansoni hypothetical protein 0.0202 1 1
Echinococcus multilocularis peregrin 0.0038 0.1128 0.1003
Echinococcus multilocularis flap endonuclease 1 0.0031 0.077 0.064
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.5307 0.5241
Treponema pallidum NADH oxidase 0.002 0.0139 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0139 0.034
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.077 0.0947
Echinococcus multilocularis geminin 0.0202 1 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.077 0.3359
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0182 0.0115
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.1499 0.1845
Schistosoma mansoni hypothetical protein 0.0202 1 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0182 0.0044
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.077 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0139 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0139 0.034
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0139 0.034
Echinococcus multilocularis musashi 0.0032 0.0808 0.0679
Echinococcus granulosus peregrin 0.0038 0.1128 0.1003
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.2158 0.2047
Schistosoma mansoni intermediate filament proteins 0.0032 0.0808 0.0745
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.6116 0.8837
Loa Loa (eye worm) hypothetical protein 0.0167 0.8123 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0541 0.0408
Brugia malayi jmjC domain containing protein 0.0115 0.5307 0.6533
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0139 0.5
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0139 0.034
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.1374 0.1252

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 35.4813 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Saccharomyces cerevisiae 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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