Detailed information for compound 682286

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 477.595 | Formula: C28H35N3O4
  • H donors: 1 H acceptors: 2 LogP: 3.45 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c(C)cc(c(c1=O)C(c1ccc(cc1)OCC)N1CCN(CC1)c1ccccc1)O
  • InChi: 1S/C28H35N3O4/c1-4-35-24-12-10-22(11-13-24)27(26-25(32)20-21(2)31(28(26)33)18-19-34-3)30-16-14-29(15-17-30)23-8-6-5-7-9-23/h5-13,20,27,32H,4,14-19H2,1-3H3
  • InChiKey: ZKBBFHHRVPFXSX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi glutathione reductase 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
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium falciparum 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
Brugia malayi 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 vivax thioredoxin reductase, 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) 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
Plasmodium yoelii thioredoxin reductase 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
Trypanosoma brucei trypanothione 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
Cryptosporidium parvum thioredoxin reductase 1 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
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase 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
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium vivax glutathione reductase, putative 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
Leishmania braziliensis trypanothione 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
Trypanosoma congolense trypanothione 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
Cryptosporidium hominis thioredoxin 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
Plasmodium yoelii 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
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, 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 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania donovani 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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.2581 0.8837
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0408 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0087 0.0753 0.1024
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0087 0.0753 0.0733
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0117 0.5
Loa Loa (eye worm) hypothetical protein 0.0087 0.0753 0.0998
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0087 0.0753 0.0998
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0059 0.0407 0.0554
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0028 0.0021 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0087 0.0753 0.1024
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0087 0.0753 0.0733
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0261 0.2905 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.0753 0.0998
Brugia malayi hypothetical protein 0.0028 0.0021 0.0029
Toxoplasma gondii thioredoxin reductase 0.0103 0.0949 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0087 0.0753 0.0733
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.0117 0.0159
Brugia malayi hypothetical protein 0.0028 0.0021 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0087 0.0753 0.1024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0087 0.0753 0.0998
Brugia malayi nuclear hormone receptor family member odr-7 0.0028 0.0021 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0087 0.0753 0.1024
Loa Loa (eye worm) thioredoxin reductase 0.0103 0.0949 0.1266
Brugia malayi Nuclear hormone receptor-like 1 0.0087 0.0753 0.1024
Plasmodium vivax glutathione reductase, putative 0.0103 0.0949 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0117 0.5
Brugia malayi hypothetical protein 0.0059 0.0407 0.0554
Loa Loa (eye worm) hypothetical protein 0.0087 0.0753 0.0998
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0087 0.0753 0.1024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0087 0.0753 0.0998
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0261 0.2905 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0087 0.0753 0.0998
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.2581 0.8837
Loa Loa (eye worm) glutathione reductase 0.0103 0.0949 0.1266
Loa Loa (eye worm) hypothetical protein 0.0619 0.7349 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0103 0.0957 0.0938
Loa Loa (eye worm) hypothetical protein 0.0059 0.0407 0.0527
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.2581 0.8837
Brugia malayi Thioredoxin reductase 0.0103 0.0949 0.1292
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0036 0.0117 0.0096
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0087 0.0753 0.1024
Echinococcus granulosus ecdysone induced protein 78C 0.0087 0.0753 0.0733
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0408 0.0388
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1462 0.1966
Schistosoma mansoni thyroid hormone receptor 0.0087 0.0753 0.0733
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0087 0.0753 0.1024
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0087 0.0753 0.0733
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0087 0.0753 0.0733
Brugia malayi Steroid receptor seven-up type 2 0.0087 0.0753 0.1024
Brugia malayi hypothetical protein 0.0059 0.0407 0.0554
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0059 0.0407 0.0387
Onchocerca volvulus 0.0087 0.0753 0.0998
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0087 0.0753 0.0733
Treponema pallidum NADH oxidase 0.0036 0.0117 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0087 0.0753 0.0733
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0087 0.0753 0.0998
Loa Loa (eye worm) steroid hormone receptor 0.0087 0.0753 0.0998
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0087 0.0753 0.1024
Loa Loa (eye worm) hypothetical protein 0.0059 0.0407 0.0527
Trypanosoma brucei trypanothione reductase 0.0103 0.0949 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0059 0.0407 0.0387
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1462 0.1966
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0408 0.1045
Echinococcus multilocularis thyroid hormone receptor alpha 0.0087 0.0753 0.0733
Mycobacterium tuberculosis Probable reductase 0.0234 0.2581 0.8837
Brugia malayi MH2 domain containing protein 0.0144 0.1462 0.1989
Echinococcus granulosus FTZ F1 alpha 0.0087 0.0753 0.0733
Echinococcus multilocularis ecdysone induced protein 78C 0.0087 0.0753 0.0733
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0087 0.0753 0.0733
Plasmodium vivax thioredoxin reductase, putative 0.0103 0.0949 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0087 0.0753 0.0998
Brugia malayi ecdysteroid receptor 0.0619 0.7349 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0087 0.0753 0.0998
Brugia malayi ecdysone receptor 0.0028 0.0021 0.0029
Brugia malayi nuclear hormone receptor family member nhr-6 0.0028 0.0021 0.0029
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0087 0.0753 0.0733
Onchocerca volvulus Bile acid receptor homolog 0.0619 0.7349 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0103 0.0949 0.2985
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0087 0.0753 0.1024
Loa Loa (eye worm) hypothetical protein 0.0059 0.0407 0.0527
Trichomonas vaginalis glutathione reductase, putative 0.0036 0.0117 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0087 0.0753 0.0733
Leishmania major trypanothione reductase 0.0103 0.0949 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.0753 0.0998
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0036 0.0117 0.0096
Schistosoma mansoni coup transcription factor 0.0087 0.0753 0.0733
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0036 0.0117 0.0096
Brugia malayi nuclear receptor NHR-88 0.0028 0.0021 0.0029
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0408 0.0388
Loa Loa (eye worm) hypothetical protein 0.0087 0.0753 0.0998
Trichomonas vaginalis mercuric reductase, putative 0.0036 0.0117 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0408 0.0388
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0087 0.0753 0.0998
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0087 0.0753 0.1024
Schistosoma mansoni thyroid hormone receptor 0.0087 0.0753 0.0733
Schistosoma mansoni RAR-like nuclear receptor 0.0087 0.0753 0.0733
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0087 0.0753 0.0733
Brugia malayi nuclear receptor NHR-88 0.0087 0.0753 0.1024
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.2581 0.8837
Loa Loa (eye worm) hypothetical protein 0.0087 0.0753 0.0998
Brugia malayi nuclear hormone receptor 0.0087 0.0753 0.1024
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0087 0.0753 0.0733
Brugia malayi nuclear receptor RXR 0.0059 0.0407 0.0554
Brugia malayi Nuclear hormone receptor-like 1 0.0059 0.0407 0.0554
Echinococcus multilocularis FTZ F1 alpha 0.0087 0.0753 0.0733
Brugia malayi nuclear receptor RXR 0.0028 0.0021 0.0029
Brugia malayi glutathione reductase 0.0103 0.0949 0.1292
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0408 0.3501
Brugia malayi Nuclear hormone receptor E75 0.0028 0.0021 0.0029
Trypanosoma cruzi trypanothione reductase, putative 0.0103 0.0949 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0407 0.0527
Brugia malayi Nuclear hormone receptor E75 0.0028 0.0021 0.0029
Schistosoma mansoni retinoic acid receptor RXR 0.0087 0.0753 0.0733
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0087 0.0753 0.0733
Schistosoma mansoni steroid hormone receptor ad4bp 0.0087 0.0753 0.0733
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0087 0.0753 0.0733
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0408 0.0388
Mycobacterium tuberculosis Probable oxidoreductase 0.0261 0.2905 1
Brugia malayi nuclear receptor NHR-67 0.0028 0.0021 0.0029
Loa Loa (eye worm) hypothetical protein 0.0087 0.0753 0.0998
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0087 0.0753 0.0733
Giardia lamblia NADH oxidase lateral transfer candidate 0.0036 0.0117 0.5
Brugia malayi orphan nuclear receptor NR2E1 0.0028 0.0021 0.0029
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0087 0.0753 0.0733
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0261 0.2905 1
Plasmodium falciparum thioredoxin reductase 0.0103 0.0949 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0087 0.0753 0.1024
Brugia malayi tailless protein 0.0028 0.0021 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0087 0.0753 0.1024
Brugia malayi nuclear hormone receptor 0.0028 0.0021 0.0029
Echinococcus multilocularis thioredoxin glutathione reductase 0.0103 0.0957 0.0938
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0087 0.0753 0.1024
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0059 0.0407 0.0527
Brugia malayi conserved hypotetical protein 0.0028 0.0021 0.0029
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0408 0.3501
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0087 0.0753 0.0733
Loa Loa (eye worm) hypothetical protein 0.0059 0.0407 0.0527
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0059 0.0407 0.0387
Plasmodium falciparum glutathione reductase 0.0103 0.0949 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0087 0.0753 0.0998
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.2581 0.8837
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0087 0.0753 0.0733
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0087 0.0753 0.1024
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0408 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0059 0.0407 0.0387
Brugia malayi steroid hormone receptor 0.0087 0.0753 0.1024
Schistosoma mansoni nuclear hormone receptor 0.0087 0.0753 0.0733
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0408 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0087 0.0753 0.0733
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0036 0.0117 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) = 5.6234 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 6.3096 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) 11.2202 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) 17.7828 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 28.1838 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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