Detailed information for compound 1319457

Basic information

Technical information
  • TDR Targets ID: 1319457
  • Name: ZINC04333025
  • MW: 288.411 | Formula: C15H20N4S
  • H donors: 2 H acceptors: 2 LogP: 4.81 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCSc1nnc([nH][nH]1)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C15H20N4S/c1-5-10-20-14-18-16-13(17-19-14)11-6-8-12(9-7-11)15(2,3)4/h5-9H,1,10H2,2-4H3,(H,16,17)(H,18,19)
  • InChiKey: ALGNBOAZPHBKMA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(allylsulfanyl)-6-[4-(tert-butyl)phenyl]-1,4-dihydro-1,2,4,5-tetraazine
  • MLS000860479
  • SMR000458563

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma 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
Plasmodium yoelii thioredoxin 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
Leishmania donovani 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
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin 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 braziliensis trypanothione 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) 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
Echinococcus granulosus thioredoxin glutathione 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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 berghei 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
Theileria parva 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
Trypanosoma cruzi trypanothione reductase, 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
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii 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
Loa Loa (eye worm) thioredoxin 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 falciparum 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
Brugia malayi 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
Babesia bovis thiodoxin reductase, putative 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
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
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 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
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 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
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 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania infantum 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 483 aa 23.0 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi glutathione reductase 0.0057 0.2777 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1683 0.6059
Loa Loa (eye worm) hypothetical protein 0.0012 0.0165 0.0593
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0183 0.007
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.7844 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0183 0.007
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0183 0.007
Loa Loa (eye worm) hypothetical protein 0.0012 0.0165 0.0593
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.0621 0.1747
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0183 0.0019
Loa Loa (eye worm) hypothetical protein 0.0012 0.0183 0.0658
Leishmania major trypanothione reductase 0.0057 0.2777 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0183 0.0658
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0183 0.0658
Brugia malayi nuclear receptor NHR-88 0.0012 0.0183 0.007
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.1683 0.581
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0183 0.0658
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.1683 0.581
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0621 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0621 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.0621 0.0845
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0183 0.007
Brugia malayi nuclear hormone receptor 0.0012 0.0183 0.007
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0183 0.0019
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0183 0.007
Loa Loa (eye worm) hypothetical protein 0.0012 0.0183 0.0658
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0183 0.0019
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0183 0.007
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.1683 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0165 0.0593
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0183 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.1683 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0621 0.0845
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.0422 0.0985
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0621 0.1747
Loa Loa (eye worm) hypothetical protein 0.0012 0.0183 0.0658
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0183 0.007
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0621 0.1747
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.7844 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0183 0.0658
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0183 0.0019
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0183 0.0658
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.0317 0.0585
Plasmodium falciparum glutathione reductase 0.002 0.0621 0.1747
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0183 0.007
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.2777 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0183 0.007
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.1683 0.5352
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.1683 0.581
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0183 0.0019
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0183 0.0019
Loa Loa (eye worm) hypothetical protein 0.0012 0.0165 0.0593
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0183 0.007
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0183 0.0019
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0621 0.1747
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.002 0.0621 0.1747
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0621 0.1747
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0621 0.1747
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0621 0.1747
Brugia malayi Thioredoxin reductase 0.0057 0.2777 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.7004 0.8837
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.1683 0.581
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.1683 0.1543
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.2777 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.1683 0.581
Loa Loa (eye worm) hypothetical protein 0.0012 0.0183 0.0658
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0183 0.007
Loa Loa (eye worm) hypothetical protein 0.0012 0.0183 0.0658
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.1683 0.1543
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0183 0.0019
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0183 0.007
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0183 0.007
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0183 0.007
Brugia malayi Cytochrome P450 family protein 0.0016 0.0422 0.0985
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0183 0.007
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0621 0.0845
Loa Loa (eye worm) CYP4Cod1 0.0016 0.0422 0.152
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.7004 0.8837
Brugia malayi steroid hormone receptor 0.0012 0.0183 0.007
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0621 1
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0621 0.3007
Loa Loa (eye worm) glutathione reductase 0.0057 0.2777 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0183 0.007
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0183 0.007
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0183 0.0658
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0621 0.1747
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.1683 1
Mycobacterium tuberculosis Probable reductase 0.013 0.7004 0.8837
Loa Loa (eye worm) hypothetical protein 0.0012 0.0183 0.0658
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.2777 0.2985
Toxoplasma gondii thioredoxin reductase 0.0057 0.2777 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0621 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0621 0.3007
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0183 0.007
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0422 0.152
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0183 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.0317 0.0585
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.1683 0.581
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.1683 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0183 0.0019
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0183 0.007
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.002 0.0621 0.1747
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.002 0.0621 0.1747
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0016 0.0422 0.5641
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0183 0.007
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0183 0.007
Loa Loa (eye worm) hypothetical protein 0.0012 0.0165 0.0593
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0183 0.007
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0183 0.007
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0621 0.1747
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0183 0.0658
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0183 0.007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0183 0.0658
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0183 0.007
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.0621 0.1747
Brugia malayi Cytochrome P450 family protein 0.0016 0.0422 0.0985
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.7004 0.8837
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0183 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0183 0.007
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0183 0.007
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.1683 0.581
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.7004 0.8906
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.1683 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.7844 1
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.0422 0.0985
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0183 0.007
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.1683 0.581
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0621 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0183 0.007
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0621 0.1747
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.0621 0.0845
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.1683 0.581
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0621 0.1747
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0621 0.1747
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.7004 0.8837
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.1683 0.581
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0621 0.0464
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0621 0.1747
Plasmodium vivax glutathione reductase, putative 0.0057 0.2777 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0183 0.0019
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0183 0.0658
Plasmodium falciparum thioredoxin reductase 0.0057 0.2777 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0621 0.1747
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0183 0.007
Loa Loa (eye worm) hypothetical protein 0.0012 0.0165 0.0593
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0621 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0183 0.0658
Brugia malayi ecdysteroid receptor 0.0012 0.0183 0.007
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.002 0.0621 0.1747
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.2777 1
Trypanosoma brucei trypanothione reductase 0.0057 0.2777 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0183 0.007
Trypanosoma brucei cytochrome P450, putative 0.0016 0.0422 0.0985
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0621 0.1747
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.2777 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0183 0.007
Onchocerca volvulus 0.0012 0.0183 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.2777 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0183 0.0019
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0621 0.3007
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0621 0.1747
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0183 0.007
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0183 0.007
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0422 0.152
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0621 0.1747
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0183 0.0019
Schistosoma mansoni coup transcription factor 0.0012 0.0183 0.0019
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.7844 1
Treponema pallidum NADH oxidase 0.002 0.0621 1
Plasmodium falciparum glutathione reductase 0.0057 0.2777 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.7004 0.8837
Plasmodium falciparum thioredoxin reductase 0.002 0.0621 0.1747

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 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) 7.0795 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (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) 11.6891 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) = 19.9526 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 20.5878 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) 23.1093 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) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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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