Detailed information for compound 1212770

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 482.487 | Formula: C27H22N4O5
  • H donors: 0 H acceptors: 3 LogP: 3.04 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1cccc(c1)C)Cc1ccco1)nc1n(c2=O)cccc1
  • InChi: 1S/C27H22N4O5/c1-3-35-27(34)21-15-20-23(28-22-11-4-5-12-30(22)26(20)33)31(16-19-10-7-13-36-19)24(21)29-25(32)18-9-6-8-17(2)14-18/h4-15H,3,16H2,1-2H3/b29-24-
  • InChiKey: GFRCJQZFNTVXML-OLFWJLLRSA-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
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum 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
Plasmodium berghei thioredoxin 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 yoelii 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
Plasmodium vivax thioredoxin reductase, putative 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
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
Trypanosoma brucei gambiense trypanothione reductase, 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase 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 vivax glutathione 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
Plasmodium berghei glutathione 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
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin 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
Babesia bovis thiodoxin 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
Brugia malayi Thioredoxin 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
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 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
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 knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
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 congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
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 22.9 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
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 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0033 0.0098 0.0195
Echinococcus multilocularis Smad4 0.0026 0.003 0.003
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.034 0.034
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0075 0.0519 0.9149
Echinococcus multilocularis smad 0.0026 0.003 0.003
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.0098 0.0195
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.008 0.0568 0.1177
Schistosoma mansoni nuclear hormone receptor 0.0033 0.0098 0.0136
Echinococcus multilocularis survival motor neuron protein 1 0.0264 0.2372 0.2372
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.0098 0.0195
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0033 0.0098 0.0098
Echinococcus multilocularis tumor protein p63 0.1039 1 1
Brugia malayi beta-lactamase family protein 0.008 0.0568 0.1132
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0033 0.0098 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0033 0.0098 0.0195
Echinococcus granulosus survival motor neuron protein 1 0.0264 0.2372 0.2372
Brugia malayi MH1 domain containing protein 0.0026 0.003 0.006
Schistosoma mansoni hypothetical protein 0.0204 0.1781 0.2473
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0075 0.0519 0.9149
Mycobacterium tuberculosis Probable lipase LipE 0.008 0.0568 0.1177
Mycobacterium ulcerans esterase/lipase LipP 0.008 0.0568 1
Schistosoma mansoni smad1 5 8 and 0.0026 0.003 0.0041
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0033 0.0098 0.0098
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0033 0.0098 0.0098
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.028 0.0388
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0077 0.2273
Trypanosoma cruzi hypothetical protein, conserved 0.008 0.0568 1
Echinococcus multilocularis lamin dm0 0.0116 0.0915 0.0915
Echinococcus granulosus lamin 0.0116 0.0915 0.0915
Brugia malayi MH2 domain containing protein 0.0026 0.003 0.006
Echinococcus multilocularis Protein lozenge 0.0067 0.0435 0.0435
Onchocerca volvulus 0.023 0.2037 0.3987
Loa Loa (eye worm) hypothetical protein 0.003 0.0077 0.0154
Onchocerca volvulus 0.0033 0.0098 0.0072
Brugia malayi hypothetical protein 0.0035 0.0121 0.0241
Loa Loa (eye worm) hypothetical protein 0.0029 0.0062 0.0124
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0033 0.0098 0.0136
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0121 0.0168
Schistosoma mansoni cellular tumor antigen P53 0.0152 0.1274 0.1769
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.008 0.0568 0.1132
Entamoeba histolytica hypothetical protein 0.0035 0.0121 0.2325
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.028 0.028
Entamoeba histolytica hypothetical protein 0.0035 0.0121 0.2325
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.003 0.003
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0033 0.0098 0.0195
Echinococcus granulosus microtubule associated protein 2 0.0755 0.7202 0.7202
Echinococcus multilocularis transcription factor Dp 1 0.0044 0.0207 0.0207
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0075 0.0519 0.0519
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.028 0.0388
Schistosoma mansoni intermediate filament proteins 0.0116 0.0915 0.1271
Schistosoma mansoni hypothetical protein 0.0035 0.0121 0.0168
Brugia malayi beta-lactamase 0.008 0.0568 0.1132
Loa Loa (eye worm) Smad1 0.0026 0.003 0.006
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.0568 0.0788
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0033 0.0098 0.0195
Onchocerca volvulus 0.008 0.0568 0.1021
Brugia malayi nuclear receptor NHR-88 0.0033 0.0098 0.0195
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.1762 0.3515
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0075 0.0519 0.1036
Onchocerca volvulus 0.0152 0.1274 0.2447
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.008 0.0568 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0075 0.0519 0.9149
Schistosoma mansoni hypothetical protein 0.0204 0.1781 0.2473
Trichomonas vaginalis esterase, putative 0.008 0.0568 0.2787
Onchocerca volvulus 0.0116 0.0915 0.1722
Plasmodium vivax SET domain protein, putative 0.0029 0.0062 0.1098
Loa Loa (eye worm) beta-lactamase 0.008 0.0568 0.1132
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0075 0.0519 0.0721
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.003 0.0041
Schistosoma mansoni smad1 5 8 and 0.0026 0.003 0.0041
Onchocerca volvulus 0.008 0.0568 0.1021
Mycobacterium ulcerans hypothetical protein 0.008 0.0568 1
Mycobacterium tuberculosis Probable hydrolase 0.008 0.0568 0.1177
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0077 0.1359
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.034 0.5981
Onchocerca volvulus 0.0054 0.0307 0.0494
Brugia malayi MH2 domain containing protein 0.0376 0.348 0.694
Echinococcus granulosus geminin 0.0204 0.1781 0.1781
Brugia malayi intermediate filament protein 0.0116 0.0915 0.1825
Onchocerca volvulus Bile acid receptor homolog 0.0033 0.0098 0.0072
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0307 0.0612
Schistosoma mansoni survival motor neuron protein 0.0054 0.0307 0.0426
Schistosoma mansoni hypothetical protein 0.0254 0.228 0.3166
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0033 0.0098 0.0195
Brugia malayi steroid hormone receptor 0.0033 0.0098 0.0195
Loa Loa (eye worm) TAR-binding protein 0.0134 0.1093 0.2181
Loa Loa (eye worm) hypothetical protein 0.0033 0.0098 0.0195
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.034 0.034
Schistosoma mansoni lamin 0.0116 0.0915 0.1271
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0033 0.0098 0.0195
Brugia malayi hypothetical protein 0.0532 0.5014 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0098 0.0195
Schistosoma mansoni thyroid hormone receptor 0.0287 0.26 0.361
Schistosoma mansoni coup transcription factor 0.0033 0.0098 0.0136
Loa Loa (eye worm) hypothetical protein 0.0152 0.1274 0.254
Echinococcus multilocularis beta LACTamase domain containing family member 0.008 0.0568 0.0568
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.003 0.006
Loa Loa (eye worm) glutathione reductase 0.0057 0.034 0.0677
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0033 0.0098 0.0195
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1202 0.2492
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0077 0.2273
Loa Loa (eye worm) hypothetical protein 0.0033 0.0098 0.0195
Leishmania major hypothetical protein, conserved 0.008 0.0568 1
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.0568 0.2787
Plasmodium falciparum thioredoxin reductase 0.0057 0.034 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.0894 0.1784
Brugia malayi Thioredoxin reductase 0.0057 0.034 0.0677
Entamoeba histolytica hypothetical protein 0.0035 0.0121 0.2325
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.028 0.0557
Onchocerca volvulus 0.0116 0.0915 0.1722
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0077 0.1359
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.003 0.003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.028 0.0388
Echinococcus multilocularis tar DNA binding protein 0.0134 0.1093 0.1093
Echinococcus granulosus smad 0.0026 0.003 0.003
Echinococcus multilocularis geminin 0.0204 0.1781 0.1781
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0075 0.0519 0.0519
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0077 0.1359
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0116 0.0915 0.1825
Loa Loa (eye worm) RNA binding protein 0.0134 0.1093 0.2181
Brugia malayi Pre-SET motif family protein 0.0029 0.0062 0.0124
Mycobacterium tuberculosis Probable lipase LipD 0.008 0.0568 0.1177
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0568 0.2787
Leishmania major hypothetical protein, conserved 0.003 0.0077 0.1359
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0568 0.2787
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0033 0.0098 0.0136
Echinococcus multilocularis microtubule associated protein 2 0.0755 0.7202 0.7202
Echinococcus multilocularis FTZ F1 alpha 0.0033 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0056 0.0327 0.0651
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0033 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.008 0.0568 0.1132
Loa Loa (eye worm) hypothetical protein 0.0532 0.5014 1
Echinococcus multilocularis musashi 0.0116 0.0915 0.0915
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0033 0.0098 0.0072
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.0098 0.0098
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.1059 0.2195
Trichomonas vaginalis set domain proteins, putative 0.023 0.2037 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0062 0.0062
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.028 0.028
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.0098 0.0098
Brugia malayi RNA recognition motif domain containing protein 0.0134 0.1093 0.2181
Plasmodium vivax hypothetical protein, conserved 0.008 0.0568 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0077 0.1359
Echinococcus granulosus tar DNA binding protein 0.0134 0.1093 0.1093
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.0098 0.0195
Brugia malayi cytoplasmic intermediate filament protein 0.0062 0.0387 0.0772
Echinococcus multilocularis thyroid hormone receptor alpha 0.0287 0.26 0.26
Entamoeba histolytica hypothetical protein 0.0035 0.0121 0.2325
Mycobacterium tuberculosis Conserved protein 0.008 0.0568 0.1177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0033 0.0098 0.0195
Leishmania major trypanothione reductase 0.0057 0.034 0.5981
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.003 0.003
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.0568 0.2787
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.028 0.028
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0033 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0532 0.5014 1
Brugia malayi follicle stimulating hormone receptor 0.0258 0.2319 0.4624
Mycobacterium tuberculosis Probable reductase 0.013 0.1059 0.2195
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0062 0.0087
Schistosoma mansoni smad 0.0026 0.003 0.0041
Loa Loa (eye worm) hypothetical protein 0.0054 0.0306 0.061
Trypanosoma brucei trypanothione reductase 0.0057 0.034 0.5981
Brugia malayi TAR-binding protein 0.0134 0.1093 0.2181
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0033 0.0098 0.0195
Mycobacterium ulcerans beta-lactamase 0.008 0.0568 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.008 0.0568 0.1132
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.0098 0.0098
Schistosoma mansoni tar DNA-binding protein 0.0134 0.1093 0.1518
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1202 0.2492
Loa Loa (eye worm) hypothetical protein 0.0033 0.0098 0.0195
Loa Loa (eye worm) hypothetical protein 0.008 0.0568 0.1132
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0121 0.0121
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1202 0.2492
Schistosoma mansoni hypothetical protein 0.0054 0.0307 0.0426
Loa Loa (eye worm) steroid hormone receptor 0.0033 0.0098 0.0195
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0062 0.0087
Toxoplasma gondii thioredoxin reductase 0.0057 0.034 0.5981
Toxoplasma gondii ABC1 family protein 0.008 0.0568 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0033 0.0098 0.0072
Loa Loa (eye worm) hypothetical protein 0.0033 0.0098 0.0195
Echinococcus granulosus intermediate filament protein 0.0116 0.0915 0.0915
Brugia malayi photoreceptor-specific nuclear receptor 0.0033 0.0098 0.0195
Echinococcus granulosus ecdysone induced protein 78C 0.0033 0.0098 0.0098
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0075 0.0519 0.1036
Loa Loa (eye worm) runx1 0.0067 0.0435 0.0867
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0033 0.0098 0.0195
Mycobacterium tuberculosis Probable esterase LipL 0.008 0.0568 0.1177
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0568 0.2787
Echinococcus multilocularis lamin 0.0116 0.0915 0.0915
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Brugia malayi MH2 domain containing protein 0.0026 0.003 0.006
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.028 0.0557
Schistosoma mansoni thyroid hormone receptor 0.0287 0.26 0.361
Echinococcus granulosus Smad4 0.0026 0.003 0.003
Schistosoma mansoni tar DNA-binding protein 0.0134 0.1093 0.1518
Loa Loa (eye worm) intermediate filament protein 0.0116 0.0915 0.1825
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.0098 0.0098
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0056 0.0327 0.0327
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.1059 0.7746
Mycobacterium tuberculosis Conserved protein 0.008 0.0568 0.1177
Echinococcus multilocularis ecdysone induced protein 78C 0.0033 0.0098 0.0098
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.0098 0.0195
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0134 0.1093 0.2181
Brugia malayi Steroid receptor seven-up type 2 0.0033 0.0098 0.0195
Loa Loa (eye worm) transcription factor SMAD2 0.0376 0.348 0.694
Loa Loa (eye worm) hypothetical protein 0.0054 0.0306 0.061
Loa Loa (eye worm) hypothetical protein 0.0264 0.2372 0.4731
Schistosoma mansoni microtubule-associated protein tau 0.0755 0.7202 1
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.034 0.5981
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0075 0.0519 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.1059 0.2195
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0062 0.0087
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0062 0.0062
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0062 0.0087
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.028 0.028
Brugia malayi hypothetical protein 0.003 0.0077 0.0154
Brugia malayi Pre-SET motif family protein 0.0202 0.1762 0.3515
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0033 0.0098 0.0136
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.0098 0.0195
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0033 0.0098 0.0136
Mycobacterium tuberculosis Probable conserved lipoprotein 0.008 0.0568 0.1177
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0254 0.228 0.228
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0033 0.0098 0.0195
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.1059 0.2195
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0033 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0033 0.0098 0.0195
Loa Loa (eye worm) hypothetical protein 0.008 0.0568 0.1132
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.034 0.0704
Brugia malayi MH1 domain containing protein 0.0026 0.003 0.006
Echinococcus granulosus beta LACTamase domain containing family member 0.008 0.0568 0.0568
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0075 0.0519 0.9149
Echinococcus granulosus transcription factor Dp 1 0.0044 0.0207 0.0207
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.1059 0.2195
Brugia malayi RNA binding protein 0.0134 0.1093 0.2181
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0033 0.0098 0.0195
Onchocerca volvulus 0.008 0.0568 0.1021
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0062 0.0387 0.0772
Trypanosoma brucei hypothetical protein, conserved 0.008 0.0568 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0033 0.0098 0.0195
Loa Loa (eye worm) hypothetical protein 0.008 0.0568 0.1132
Loa Loa (eye worm) hypothetical protein 0.008 0.0568 0.1132
Schistosoma mansoni Smad4 0.0026 0.003 0.0041
Schistosoma mansoni steroid hormone receptor ad4bp 0.0033 0.0098 0.0136
Mycobacterium tuberculosis Conserved protein 0.008 0.0568 0.1177
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.0098 0.0195
Plasmodium vivax glutathione reductase, putative 0.0057 0.034 0.5981
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0056 0.0327 0.0327
Onchocerca volvulus 0.0532 0.5014 1
Brugia malayi beta-lactamase family protein 0.008 0.0568 0.1132
Brugia malayi Smad1 0.0026 0.003 0.006
Brugia malayi ecdysteroid receptor 0.0033 0.0098 0.0195
Plasmodium falciparum glutathione reductase 0.0057 0.034 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.003 0.006
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0121 0.0121
Schistosoma mansoni retinoic acid receptor RXR 0.0033 0.0098 0.0136
Loa Loa (eye worm) hypothetical protein 0.0033 0.0098 0.0195
Schistosoma mansoni tar DNA-binding protein 0.0134 0.1093 0.1518
Schistosoma mansoni lamin 0.0116 0.0915 0.1271
Echinococcus granulosus FTZ F1 alpha 0.0033 0.0098 0.0098
Echinococcus granulosus lamin dm0 0.0116 0.0915 0.0915
Trypanosoma cruzi hypothetical protein, conserved 0.008 0.0568 1
Schistosoma mansoni tar DNA-binding protein 0.0134 0.1093 0.1518
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0513 0.4825 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0052 0.0052
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0062 0.0062
Schistosoma mansoni lozenge 0.0067 0.0435 0.0603
Loa Loa (eye worm) MH2 domain-containing protein 0.0376 0.348 0.694
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0033 0.0098 0.0195
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.008 0.0568 0.1177
Mycobacterium ulcerans lipase LipD 0.008 0.0568 1
Schistosoma mansoni smad1 5 8 and 0.0026 0.003 0.0041
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0258 0.2319 0.4624
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0116 0.0915 0.1825
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1202 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0254 0.228 0.228
Schistosoma mansoni RAR-like nuclear receptor 0.0033 0.0098 0.0136
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0033 0.0098 0.0098
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0033 0.0098 0.0136
Brugia malayi glutathione reductase 0.0057 0.034 0.0677
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0077 0.1359
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0062 0.1098
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0033 0.0098 0.0195
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.034 0.0677
Brugia malayi Nuclear hormone receptor-like 1 0.0033 0.0098 0.0195
Brugia malayi Intermediate filament tail domain containing protein 0.0116 0.0915 0.1825
Schistosoma mansoni tar DNA-binding protein 0.0134 0.1093 0.1518
Loa Loa (eye worm) hypothetical protein 0.008 0.0568 0.1132
Brugia malayi hypothetical protein 0.0264 0.2372 0.4731
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0033 0.0098 0.0098
Brugia malayi nuclear hormone receptor 0.0033 0.0098 0.0195
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.0568 0.0788
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.1059 0.2195
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0974 0.9365 0.9365
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0033 0.0098 0.0136

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 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) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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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