Detailed information for compound 1858754

Basic information

Technical information
  • TDR Targets ID: 1858754
  • Name: 4-amino-N-[[4-[2-(3,4-dimethoxyphenyl)ethylam ino]-4-oxobutan-2-ylidene]amino]benzamide
  • MW: 398.456 | Formula: C21H26N4O4
  • H donors: 3 H acceptors: 2 LogP: 2.06 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CCNC(=O)C/C(=N/NC(=O)c2ccc(cc2)N)/C)ccc1OC
  • InChi: 1S/C21H26N4O4/c1-14(24-25-21(27)16-5-7-17(22)8-6-16)12-20(26)23-11-10-15-4-9-18(28-2)19(13-15)29-3/h4-9,13H,10-12,22H2,1-3H3,(H,23,26)(H,25,27)/b24-14+
  • InChiKey: ODWYBWDKGXAXGL-ZVHZXABRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-amino-N-[[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-oxo-propylidene]amino]benzamide
  • 4-amino-N-[[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-3-oxopropylidene]amino]benzamide
  • 4-amino-N-[[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-keto-1-methyl-propylidene]amino]benzamide
  • 4-amino-N-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxo-butan-2-ylidene]amino]benzamide
  • 3-[(4-Amino-benzoyl)-hydrazono]-N-[2-(3,4-dimethoxy-phenyl)-ethyl]-butyramide
  • MLS000563876
  • SMR000174927
  • BAS 00410250

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis trypanothione 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
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione 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
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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 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) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium berghei thioredoxin 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
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase 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
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative 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 major trypanothione 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
Plasmodium yoelii 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium falciparum glutathione reductase 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
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
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
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 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
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 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 major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
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 glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
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 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
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 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
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 483 aa 23.0 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0138 0.0177
Leishmania major trypanothione reductase 0.0057 0.2744 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0138 0.0177
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0578 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0138 0.0177
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.7798 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0138 0.0504
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0138 0.0504
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.7834 1
Plasmodium falciparum glutathione reductase 0.0057 0.2744 1
Brugia malayi nuclear hormone receptor 0.0012 0.0138 0.0177
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0138 0.0138
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0578 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0138 0.0177
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0138 0.0504
Schistosoma mansoni coup transcription factor 0.0012 0.0138 0.0138
Loa Loa (eye worm) glutathione reductase 0.0057 0.2744 0.3519
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.2744 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0138 0.0504
Loa Loa (eye worm) hypothetical protein 0.0012 0.0138 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0138 0.0177
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0138 0.0177
Brugia malayi glutathione reductase 0.0057 0.2744 0.3519
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0138 0.0177
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0138 0.0504
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0578 0.0578
Plasmodium falciparum thioredoxin reductase 0.0057 0.2744 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0578 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.2744 0.3519
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0578 0.0742
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0138 0.0138
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.699 0.8837
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0138 0.0138
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0138 0.0504
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0138 0.0177
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0578 0.2108
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0138 0.0177
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0138 0.0138
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.0274 0.0351
Brugia malayi Thioredoxin reductase 0.0057 0.2744 0.3519
Mycobacterium tuberculosis Probable reductase 0.013 0.699 0.8837
Brugia malayi nuclear receptor NHR-88 0.0012 0.0138 0.0177
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0138 0.0138
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.2744 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0138 0.0177
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0578 0.5
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.0274 0.0351
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0138 0.0177
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.7834 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.7798 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0138 0.0504
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0138 0.0177
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.7834 1
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0138 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0138 0.0138
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0138 0.0177
Treponema pallidum NADH oxidase 0.002 0.0578 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0138 0.0504
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0138 0.0138
Onchocerca volvulus 0.0012 0.0138 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0578 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0138 0.0504
Toxoplasma gondii thioredoxin reductase 0.0057 0.2744 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0138 0.0504
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.2744 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0138 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0138 0.0177
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0138 0.0138
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0138 0.0177
Brugia malayi MH2 domain containing protein 0.0144 0.7798 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0578 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0138 0.0504
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0138 0.0177
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0138 0.0504
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0138 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0138 0.0177
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0138 0.0504
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.2744 0.2985
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.699 0.8837
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0138 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0138 0.0177
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0138 0.0504
Loa Loa (eye worm) hypothetical protein 0.0012 0.0138 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0138 0.0177
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0138 0.0504
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0138 0.0177
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0578 0.2108
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0138 0.0138
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.699 0.8837
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0138 0.0504
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0138 0.0138
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0578 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0138 0.0504
Loa Loa (eye worm) hypothetical protein 0.0012 0.0138 0.0177
Plasmodium vivax glutathione reductase, putative 0.0057 0.2744 1
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0138 0.0504
Loa Loa (eye worm) hypothetical protein 0.0012 0.0138 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0138 0.0177
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.699 0.8837
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.699 0.8837
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0138 0.0177
Brugia malayi ecdysteroid receptor 0.0012 0.0138 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0138 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0138 0.0177
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.7834 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.2744 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0138 0.0177
Trypanosoma brucei trypanothione reductase 0.0057 0.2744 1
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0012 0.0138 0.0177
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0578 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0012 0.0138 0.0177
Brugia malayi steroid hormone receptor 0.0012 0.0138 0.0177
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0578 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2818 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) 5.2213 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) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 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 (functional) = 28.1838 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) 35.4813 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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