Detailed information for compound 1397161

Basic information

Technical information
  • TDR Targets ID: 1397161
  • Name: methyl N-[4-[4-(2-methylpiperidine-1-carbonyl )piperidin-1-yl]sulfonylphenyl]carbamate
  • MW: 423.526 | Formula: C20H29N3O5S
  • H donors: 1 H acceptors: 4 LogP: 1.88 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCCCC1C
  • InChi: 1S/C20H29N3O5S/c1-15-5-3-4-12-23(15)19(24)16-10-13-22(14-11-16)29(26,27)18-8-6-17(7-9-18)21-20(25)28-2/h6-9,15-16H,3-5,10-14H2,1-2H3,(H,21,25)
  • InChiKey: DEQHYBCDUNPIQZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl N-[4-[[4-(2-methylpiperidine-1-carbonyl)-1-piperidyl]sulfonyl]phenyl]carbamate
  • N-[4-[[4-[(2-methyl-1-piperidinyl)-oxomethyl]-1-piperidinyl]sulfonyl]phenyl]carbamic acid methyl ester
  • N-[4-[[4-(2-methylpiperidine-1-carbonyl)-1-piperidyl]sulfonyl]phenyl]carbamic acid methyl ester
  • methyl N-[4-[4-(2-methylpiperidin-1-yl)carbonylpiperidin-1-yl]sulfonylphenyl]carbamate
  • MLS000774880
  • SMR000368146
  • Oprea1_146585

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 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
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major trypanothione 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
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Pre-SET motif family protein 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 donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax glutathione 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
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania mexicana trypanothione 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
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Cryptosporidium hominis thioredoxin 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
Trypanosoma brucei 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva thioredoxin 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
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax thioredoxin 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 cruzi trypanothione 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
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum glutathione 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
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum thioredoxin 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
Leishmania infantum 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 yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
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 NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
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 congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, 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, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
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 brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
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 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
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 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0265 0.8342
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0038 0.0008 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0038 0.0008 0.0004
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0038 0.0008 0.0004
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0062 0.0058
Loa Loa (eye worm) hypothetical protein 0.0229 0.0538 0.0534
Echinococcus granulosus GPCR family 2 0.0072 0.0104 0.0104
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0107 0.0107
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0038 0.0008 0.0004
Loa Loa (eye worm) hypothetical protein 0.0038 0.0008 0.0004
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0107 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0038 0.0008 0.0004
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0229 0.0538 0.0534
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0107 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0305 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0008 0.0004
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0107 0.0103
Echinococcus granulosus apoptotic protease activating factor 1 0.0276 0.0668 0.0668
Brugia malayi nuclear hormone receptor 0.0038 0.0008 0.0004
Echinococcus granulosus neuropeptide receptor A26 0.0465 0.1191 0.1191
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0038 0.0008 0.0008
Schistosoma mansoni thyroid hormone receptor 0.0089 0.0152 0.0148
Schistosoma mansoni hypothetical protein 0.0276 0.0668 0.0665
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0038 0.0008 0.0004
Echinococcus multilocularis caspase 2 0.0276 0.0668 0.0665
Brugia malayi Thioredoxin reductase 0.0057 0.0062 0.0058
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0038 0.0008 0.0008
Schistosoma mansoni hypothetical protein 0.0072 0.0104 0.0101
Loa Loa (eye worm) hypothetical protein 0.0038 0.0008 0.0004
Mycobacterium tuberculosis Probable reductase 0.013 0.0265 0.8342
Echinococcus granulosus FTZ F1 alpha 0.0038 0.0008 0.0008
Brugia malayi Pre-SET motif family protein 0.0251 0.06 0.0597
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0072 0.0104 0.0104
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0265 0.8342
Brugia malayi Latrophilin receptor protein 2 0.0072 0.0104 0.0101
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0038 0.0008 0.0004
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0038 0.0008 0.0004
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0038 0.0008 0.0004
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0038 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0038 0.0008 0.0004
Brugia malayi Nuclear hormone receptor-like 1 0.0118 0.0231 0.0228
Brugia malayi nuclear receptor NHR-88 0.0038 0.0008 0.0004
Onchocerca volvulus 0.0038 0.0008 0.0004
Schistosoma mansoni hypothetical protein 0.0156 0.0337 0.0334
Trypanosoma brucei trypanothione reductase 0.0057 0.0062 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0008 0.0004
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0107 0.5
Schistosoma mansoni hypothetical protein 0.0052 0.0048 0.0044
Echinococcus multilocularis apoptotic protease activating factor 1 0.0276 0.0668 0.0665
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0038 0.0008 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0038 0.0008 0.0004
Schistosoma mansoni coup transcription factor 0.0038 0.0008 0.0004
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0038 0.0008 0.0004
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0038 0.0008 0.0004
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0038 0.0008 0.0004
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0038 0.0008 0.0004
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0052 0.0048 0.0048
Echinococcus multilocularis FTZ F1 alpha 0.0038 0.0008 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0038 0.0008 0.0004
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0062 0.0058
Onchocerca volvulus 0.0276 0.0668 0.0665
Echinococcus granulosus geminin 0.0178 0.0396 0.0396
Echinococcus multilocularis ecdysone induced protein 78C 0.0038 0.0008 0.0004
Echinococcus granulosus ecdysone induced protein 78C 0.0038 0.0008 0.0008
Onchocerca volvulus Protein ultraspiracle homolog 0.0038 0.0008 0.0004
Plasmodium falciparum glutathione reductase 0.0057 0.0062 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0229 0.0538 0.0534
Loa Loa (eye worm) latrophilin receptor protein 2 0.0072 0.0104 0.0101
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0052 0.0048 0.0044
Plasmodium falciparum thioredoxin reductase 0.0057 0.0062 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0038 0.0008 0.0008
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0038 0.0008 0.0004
Loa Loa (eye worm) hypothetical protein 0.0276 0.0668 0.0665
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0118 0.0231 0.0228
Schistosoma mansoni retinoic acid receptor RXR 0.0038 0.0008 0.0004
Echinococcus multilocularis thyroid hormone receptor alpha 0.0089 0.0152 0.0148
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0265 0.8342
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0072 0.0104 0.0101
Brugia malayi latrophilin 2 splice variant baaae 0.0156 0.0337 0.0334
Echinococcus granulosus caspase 2 0.0276 0.0668 0.0668
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0107 0.0103
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0062 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0038 0.0008 0.0004
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0072 0.0104 0.0104
Schistosoma mansoni RAR-like nuclear receptor 0.0038 0.0008 0.0004
Loa Loa (eye worm) hypothetical protein 0.0276 0.0668 0.0665
Brugia malayi ecdysteroid receptor 0.0038 0.0008 0.0004
Brugia malayi steroid hormone receptor 0.0038 0.0008 0.0004
Onchocerca volvulus 0.0286 0.0696 0.0693
Echinococcus granulosus neuropeptide s receptor 0.0465 0.1191 0.1191
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0107 0.0103
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0004 0.0004
Echinococcus multilocularis neuropeptide receptor A26 0.0465 0.1191 0.1188
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0038 0.0008 0.0004
Schistosoma mansoni thyroid hormone receptor 0.0089 0.0152 0.0148
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0038 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0072 0.0104 0.0101
Schistosoma mansoni sodium-bile acid cotransporter related 0.1478 0.3998 0.3996
Toxoplasma gondii thioredoxin reductase 0.0057 0.0062 0.5647
Plasmodium vivax glutathione reductase, putative 0.0057 0.0062 1
Schistosoma mansoni hypothetical protein 0.0072 0.0104 0.0101
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0265 0.8342
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0305 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0038 0.0008 0.0004
Schistosoma mansoni hypothetical protein 0.0072 0.0104 0.0101
Schistosoma mansoni nuclear hormone receptor 0.0038 0.0008 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0038 0.0008 0.0004
Brugia malayi Steroid receptor seven-up type 2 0.0038 0.0008 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0038 0.0008 0.0004
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0038 0.0008 0.0008
Echinococcus multilocularis neuropeptide s receptor 0.0465 0.1191 0.1188
Loa Loa (eye worm) hypothetical protein 0.0038 0.0008 0.0004
Loa Loa (eye worm) hypothetical protein 0.0156 0.0337 0.0334
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0038 0.0008 0.0008
Brugia malayi glutathione reductase 0.0057 0.0062 0.0058
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.06 0.0597
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0107 1
Schistosoma mansoni hypothetical protein 0.0178 0.0396 0.0393
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0072 0.0104 0.0101
Brugia malayi hypothetical protein 0.0276 0.0668 0.0665
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0265 0.8342
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0038 0.0008 0.0004
Brugia malayi Nuclear hormone receptor-like 1 0.0136 0.028 0.0277
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0305 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0038 0.0008 0.0004
Schistosoma mansoni caspase-7 (C14 family) 0.0276 0.0668 0.0665
Echinococcus multilocularis geminin 0.0178 0.0396 0.0393
Onchocerca volvulus Cell death protein 3 homolog 0.0276 0.0668 0.0665
Onchocerca volvulus Bile acid receptor homolog 0.0038 0.0008 0.0004
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0107 0.5
Loa Loa (eye worm) hypothetical protein 0.0116 0.0225 0.0222
Brugia malayi Cell death protein 3 precursor 0.0276 0.0668 0.0665
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0038 0.0008 0.0004
Loa Loa (eye worm) hypothetical protein 0.0038 0.0008 0.0004
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0038 0.0008 0.0004
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0062 0.0062
Loa Loa (eye worm) steroid hormone receptor 0.0038 0.0008 0.0004
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0229 0.0538 0.0534
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0038 0.0008 0.0004
Schistosoma mansoni steroid hormone receptor ad4bp 0.0038 0.0008 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0038 0.0008 0.0004
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0038 0.0008 0.0004
Schistosoma mansoni hypothetical protein 0.0178 0.0396 0.0393
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0234 0.0231
Schistosoma mansoni hypothetical protein 0.0072 0.0104 0.0101
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0062 1
Schistosoma mansoni hypothetical protein 0.0218 0.0508 0.0505
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0038 0.0008 0.0004
Loa Loa (eye worm) glutathione reductase 0.0057 0.0062 0.0058
Brugia malayi Nuclear hormone receptor-like 1 0.0118 0.0231 0.0228
Brugia malayi photoreceptor-specific nuclear receptor 0.0038 0.0008 0.0004
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0072 0.0104 0.0101
Echinococcus multilocularis GPCR, family 2 0.0072 0.0104 0.0101
Schistosoma mansoni sodium-bile acid cotransporter 0.2166 0.5906 0.5905
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0305 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0234 0.0231
Loa Loa (eye worm) hypothetical protein 0.0038 0.0008 0.0004
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0107 0.185
Brugia malayi MH2 domain containing protein 0.0119 0.0234 0.0231
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0696 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0038 0.0008 0.0004
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0038 0.0008 0.0004
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0038 0.0008 0.0004

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 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) 0.1259 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 25.929 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) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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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