Detailed information for compound 1530223

Basic information

Technical information
  • TDR Targets ID: 1530223
  • Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4 -methylpiperidin-1-yl)sulfonylquinoline
  • MW: 478.649 | Formula: C27H34N4O2S
  • H donors: 0 H acceptors: 3 LogP: 5.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCN(CC1)S(=O)(=O)c1ccc2c(c1)ccc(n2)N1CCN(CC1)c1cc(C)ccc1C
  • InChi: 1S/C27H34N4O2S/c1-20-10-12-31(13-11-20)34(32,33)24-7-8-25-23(19-24)6-9-27(28-25)30-16-14-29(15-17-30)26-18-21(2)4-5-22(26)3/h4-9,18-20H,10-17H2,1-3H3
  • InChiKey: DCKLYZXGJGTLAU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(4-methyl-1-piperidyl)sulfonyl]quinoline
  • 2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]quinoline
  • 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)sulfonyl-quinoline
  • F052-0477
  • NCGC00127834-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major trypanothione 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 falciparum thioredoxin reductase 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) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Neospora caninum Glutathione reductase, related 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 infantum trypanothione 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
Loa Loa (eye worm) thioredoxin 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
Loa Loa (eye worm) 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
Trypanosoma brucei trypanothione reductase 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 glutathione 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
Plasmodium falciparum 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
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi 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
Trypanosoma cruzi trypanothione reductase, putative 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 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
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin 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
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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
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 465 aa 27.5 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania major 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 489 aa 22.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
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 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
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 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
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 mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania donovani 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 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
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 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis ribonuclease H1, putative 0.0654 0.2623 1
Brugia malayi RNase H family protein 0.0654 0.2623 1
Schistosoma mansoni peroxidasin 0.0124 0.0448 0.0427
Brugia malayi Pao retrotransposon peptidase family protein 0.0056 0.0168 0.0642
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0168 0.0564
Plasmodium falciparum thioredoxin reductase 0.0057 0.0174 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0474 0.8837
Loa Loa (eye worm) hypothetical protein 0.0124 0.0448 0.4073
Schistosoma mansoni phosphoglucomutase 0.0654 0.2623 0.2607
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.071 0.2851 0.2835
Onchocerca volvulus Ribonuclease H1 homolog 0.0654 0.2623 1
Brugia malayi Pao retrotransposon peptidase family protein 0.0056 0.0168 0.0642
Onchocerca volvulus Dual oxidase homolog 0.0124 0.0448 0.1418
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0056 0.0168 0.0564
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0174 0.2985
Trypanosoma brucei SLACS retrotransposable element (part), putative 0.0056 0.0168 0.0147
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.0168 0.0147
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0056 0.0168 0.0564
Brugia malayi hypothetical protein 0.0124 0.0448 0.1707
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0056 0.0168 0.0564
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0056 0.0168 0.0564
Loa Loa (eye worm) hypothetical protein 0.0177 0.0667 0.6562
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0088 0.0067
Trypanosoma brucei ingi protein (ORF1) 0.071 0.2851 0.2835
Giardia lamblia Reverse transcriptase/endonuclease 0.0056 0.0168 0.0564
Brugia malayi Pao retrotransposon peptidase family protein 0.0056 0.0168 0.0642
Toxoplasma gondii ribonuclease HI protein 0.0654 0.2623 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.0448 0.4073
Brugia malayi reverse transcriptase 0.0056 0.0168 0.0642
Loa Loa (eye worm) hypothetical protein 0.0124 0.0448 0.4073
Loa Loa (eye worm) blistered cuticle protein 3 0.0124 0.0448 0.4073
Brugia malayi Animal haem peroxidase family protein 0.0124 0.0448 0.1707
Trypanosoma cruzi ribonuclease H1, putative 0.0654 0.2623 1
Trypanosoma cruzi ribonuclease H1, putative 0.0654 0.2623 1
Brugia malayi hypothetical protein 0.0056 0.0168 0.0642
Schistosoma mansoni scy1(yeast) protein kinase-like 0.0056 0.0168 0.0147
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0654 0.2623 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.0448 0.4073
Mycobacterium tuberculosis Possible maturase 0.0056 0.0168 0.2864
Loa Loa (eye worm) animal heme peroxidase 0.0124 0.0448 0.4073
Brugia malayi reverse transcriptase 0.0056 0.0168 0.0642
Loa Loa (eye worm) hypothetical protein 0.0124 0.0448 0.4073
Schistosoma mansoni protein kinase 0.0056 0.0168 0.0147
Trypanosoma brucei trypanothione reductase 0.0057 0.0174 0.0153
Brugia malayi Animal haem peroxidase family protein 0.0124 0.0448 0.1707
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0056 0.0168 0.0564
Loa Loa (eye worm) animal heme peroxidase 0.0124 0.0448 0.4073
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0056 0.0168 0.0316
Brugia malayi Pao retrotransposon peptidase family protein 0.0056 0.0168 0.0642
Brugia malayi RNase H family protein 0.0654 0.2623 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0088 0.0256
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0056 0.0168 0.0564
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0088 0.0067
Onchocerca volvulus Peroxidasin homolog 0.0124 0.0448 0.1418
Brugia malayi Pao retrotransposon peptidase family protein 0.0056 0.0168 0.0642
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0174 0.0588
Echinococcus granulosus KRAB A domain containing protein 0.0056 0.0168 0.0564
Brugia malayi Animal haem peroxidase family protein 0.0124 0.0448 0.1707
Brugia malayi Peroxidasin 0.0124 0.0448 0.1707
Brugia malayi Blistered cuticle protein 3 0.0124 0.0448 0.1707
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0083 0.0235
Mycobacterium tuberculosis Probable reductase 0.013 0.0474 0.8837
Trypanosoma brucei hypothetical protein, conserved 0.071 0.2851 0.2835
Trichomonas vaginalis reverse transcriptase [C. elegans], putative 0.0056 0.0168 0.0564
Brugia malayi Pre-SET motif family protein 0.0036 0.0088 0.0336
Leishmania major trypanothione reductase 0.0057 0.0174 0.0588
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0056 0.0168 0.0564
Loa Loa (eye worm) hypothetical protein 0.0124 0.0448 0.4073
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0088 0.0067
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0474 0.8837
Onchocerca volvulus Peroxidase homolog 0.0124 0.0448 0.1418
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0022 0.5
Loa Loa (eye worm) hypothetical protein 0.0124 0.0448 0.4073
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0056 0.0168 0.0564
Trypanosoma brucei ribonuclease H1 0.0654 0.2623 0.2607
Brugia malayi Zinc knuckle family protein 0.0056 0.0168 0.0642
Brugia malayi Pao retrotransposon peptidase family protein 0.0056 0.0168 0.0642
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0971 1
Plasmodium falciparum glutathione reductase 0.0057 0.0174 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0088 0.0256
Brugia malayi Zinc knuckle family protein 0.0056 0.0168 0.0642
Giardia lamblia Ribonuclease H 0.0654 0.2623 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0174 0.0588
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0022 0.5
Brugia malayi Pao retrotransposon peptidase family protein 0.0056 0.0168 0.0642
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0088 0.0067
Trypanosoma brucei SLACS reverse transcriptase, putative 0.0056 0.0168 0.0147
Echinococcus granulosus peroxidasin 0.0124 0.0448 0.1638
Echinococcus granulosus RNA directed DNA polymerase 0.0056 0.0168 0.0564
Onchocerca volvulus 0.0124 0.0448 0.1418
Loa Loa (eye worm) hypothetical protein 0.0124 0.0448 0.4073
Loa Loa (eye worm) animal heme peroxidase 0.0124 0.0448 0.4073
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0474 0.8837
Brugia malayi hypothetical protein 0.0056 0.0168 0.0642
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0174 0.0978
Toxoplasma gondii thioredoxin reductase 0.0057 0.0174 0.0588
Loa Loa (eye worm) hypothetical protein 0.0124 0.0448 0.4073
Brugia malayi reverse transcriptase 0.0056 0.0168 0.0642
Brugia malayi Pao retrotransposon peptidase family protein 0.0056 0.0168 0.0642
Brugia malayi Pao retrotransposon peptidase family protein 0.0056 0.0168 0.0642
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0534 1
Treponema pallidum ribonuclease H (rnhA) 0.0654 0.2623 1
Schistosoma mansoni hypothetical protein 0.0056 0.0168 0.0147
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0022 0.5
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0056 0.0168 0.0564
Brugia malayi Pre-SET motif family protein 0.0251 0.0971 0.3701
Brugia malayi Animal haem peroxidase family protein 0.0124 0.0448 0.1707
Onchocerca volvulus Peroxidasin homolog 0.0124 0.0448 0.1418
Brugia malayi N-terminal motif family protein 0.0177 0.0667 0.2544
Brugia malayi Animal haem peroxidase family protein 0.0124 0.0448 0.1707
Schistosoma mansoni phosphoglucomutase 0.0654 0.2623 0.2607
Loa Loa (eye worm) hypothetical protein 0.0124 0.0448 0.4073
Onchocerca volvulus 0.0056 0.0168 0.0316
Brugia malayi Pao retrotransposon peptidase family protein 0.0056 0.0168 0.0642
Trichomonas vaginalis reverse transcriptases, putative 0.0056 0.0168 0.0564
Leishmania major ribonuclease H1, putative 0.0654 0.2623 1
Trypanosoma brucei RNA helicase, putative 0.2454 1 1
Brugia malayi hypothetical protein 0.0056 0.0168 0.0642
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0534 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1113 0.4196
Brugia malayi RNase H family protein 0.0654 0.2623 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0022 0.0082
Echinococcus granulosus ribonuclease H1 0.0654 0.2623 1
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0056 0.0168 0.0564
Loa Loa (eye worm) animal heme peroxidase 0.0124 0.0448 0.4073
Loa Loa (eye worm) hypothetical protein 0.0124 0.0448 0.4073
Trypanosoma brucei Endonuclease-reverse transcriptase/Reverse transcriptase (RNA-dependent DNA polymerase), putative 0.0056 0.0168 0.0147
Schistosoma mansoni phosphoglucomutase 0.0654 0.2623 0.2607
Echinococcus multilocularis peroxidasin 0.0124 0.0448 0.1638
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0056 0.0168 0.0564
Brugia malayi glutathione reductase 0.0057 0.0174 0.0665
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0056 0.0168 0.0564
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0056 0.0168 0.0564
Onchocerca volvulus Chorion peroxidase homolog 0.0124 0.0448 0.1418
Echinococcus multilocularis RNA directed DNA polymerase 0.0056 0.0168 0.0564
Brugia malayi Pao retrotransposon peptidase family protein 0.0056 0.0168 0.0642
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0174 0.0588
Brugia malayi Thioredoxin reductase 0.0057 0.0174 0.0665
Trypanosoma brucei ingi protein (ORF1) 0.071 0.2851 0.2835
Trichomonas vaginalis NeSL-1_NeSL reverse transcriptases, putative 0.0056 0.0168 0.0564
Onchocerca volvulus 0.0124 0.0448 0.1418
Trypanosoma brucei unspecified product 0.071 0.2851 0.2835
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0474 0.8837
Echinococcus multilocularis ribonuclease H1 0.0654 0.2623 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0056 0.0168 0.0564
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0177 0.0667 0.2284
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0022 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0534 1
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0056 0.0168 0.0564
Onchocerca volvulus Peroxidase homolog 0.0124 0.0448 0.1418
Brugia malayi hypothetical protein 0.0056 0.0168 0.0642
Loa Loa (eye worm) hypothetical protein 0.0124 0.0448 0.4073
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0174 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.0448 0.4073
Schistosoma mansoni peroxidasin 0.0124 0.0448 0.0427
Schistosoma mansoni hypothetical protein 0.0056 0.0168 0.0147
Plasmodium vivax glutathione reductase, putative 0.0057 0.0174 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0088 0.0256
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0056 0.0168 0.0564
Onchocerca volvulus 0.0056 0.0168 0.0316
Trichomonas vaginalis reverse transcriptases, putative 0.0056 0.0168 0.0564
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0474 0.8837
Plasmodium vivax SET domain protein, putative 0.0036 0.0088 0.4358
Brugia malayi Pao retrotransposon peptidase family protein 0.0056 0.0168 0.0642
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0534 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0056 0.0168 0.0564
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0088 0.0256
Onchocerca volvulus 0.0124 0.0448 0.1418
Brugia malayi Pao retrotransposon peptidase family protein 0.0056 0.0168 0.0642
Loa Loa (eye worm) glutathione reductase 0.0057 0.0174 0.0978
Loa Loa (eye worm) hypothetical protein 0.0124 0.0448 0.4073
Onchocerca volvulus 0.0286 0.1113 0.4043
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0056 0.0168 0.0564
Brugia malayi Pao retrotransposon peptidase family protein 0.0056 0.0168 0.0642

Activities

Activity type Activity value Assay description Source 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) 7.9433 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) 12.5893 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) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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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