Detailed information for compound 1290246

Basic information

Technical information
  • TDR Targets ID: 1290246
  • Name: 3-(4-chlorophenyl)sulfanyl-1-furan-2-ylpropan -1-one
  • MW: 266.743 | Formula: C13H11ClO2S
  • H donors: 0 H acceptors: 1 LogP: 3.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)SCCC(=O)c1ccco1
  • InChi: 1S/C13H11ClO2S/c14-10-3-5-11(6-4-10)17-9-7-12(15)13-2-1-8-16-13/h1-6,8H,7,9H2
  • InChiKey: SNDASVKNYPFYJZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(4-chlorophenyl)sulfanyl-1-(2-furyl)propan-1-one
  • 3-[(4-chlorophenyl)thio]-1-(2-furyl)propan-1-one
  • 3-(4-chlorophenyl)sulfanyl-1-furan-2-yl-propan-1-one
  • JS-2367

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium falciparum glutathione 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
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Babesia bovis thiodoxin 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 brucei gambiense trypanothione 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
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum 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
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum MGC84926 protein, related 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
Trypanosoma cruzi trypanothione 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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 berghei glutathione 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Thioredoxin 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
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) 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
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
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 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
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 483 aa 23.0 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
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 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
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 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
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 22.3 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi nuclear hormone receptor 0.0012 0.0075 0.0177
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0075 0.0075
Toxoplasma gondii thioredoxin reductase 0.0103 0.2918 1
Brugia malayi nuclear receptor NHR-88 0.0012 0.0075 0.0177
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0075 0.0177
Brugia malayi ecdysteroid receptor 0.0012 0.0075 0.0177
Echinococcus multilocularis thioredoxin glutathione reductase 0.0103 0.2937 0.4803
Brugia malayi glutathione reductase 0.0103 0.2918 0.6919
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0075 0.0122
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.7051 0.8837
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0075 0.0122
Loa Loa (eye worm) thioredoxin reductase 0.0103 0.2918 0.6919
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.7051 0.8837
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0075 0.0122
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0075 0.0075
Plasmodium falciparum glutathione reductase 0.0103 0.2918 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.3272 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0075 0.0122
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0075 0.0177
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3272 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0075 0.0177
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0036 0.081 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3272 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0075 0.0122
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1464 0.2658
Loa Loa (eye worm) hypothetical protein 0.0012 0.0075 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0075 0.0177
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.3272 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3272 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0075 0.0122
Brugia malayi MH2 domain containing protein 0.0144 0.4217 1
Treponema pallidum NADH oxidase 0.0036 0.081 0.5
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0036 0.081 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.6115 0.6115
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.3272 0.5351
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0075 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0075 0.0177
Plasmodium falciparum thioredoxin reductase 0.0103 0.2918 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0075 0.0177
Leishmania major trypanothione reductase 0.0103 0.2918 0.8561
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.7051 0.8837
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0075 0.0122
Loa Loa (eye worm) hypothetical protein 0.0012 0.0075 0.0177
Mycobacterium tuberculosis Probable oxidoreductase 0.0261 0.7873 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0075 0.0075
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3272 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3272 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0075 0.0177
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0075 0.0122
Plasmodium vivax thioredoxin reductase, putative 0.0103 0.2918 1
Trypanosoma cruzi trypanothione reductase, putative 0.0103 0.2918 0.8561
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0075 0.0075
Echinococcus multilocularis geminin 0.0205 0.6115 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0026 0.0513 0.1216
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0075 0.0122
Schistosoma mansoni coup transcription factor 0.0012 0.0075 0.0075
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3272 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0075 0.0177
Loa Loa (eye worm) hypothetical protein 0.0012 0.0075 0.0177
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0075 0.0075
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0075 0.0122
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0075 0.0177
Brugia malayi Thioredoxin reductase 0.0103 0.2918 0.6919
Loa Loa (eye worm) glutathione reductase 0.0103 0.2918 0.6919
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0036 0.081 0.1324
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0075 0.0177
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1464 0.2658
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.3272 0.3272
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0075 0.0177
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0075 0.0075
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0075 0.0177
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0036 0.081 0.5
Plasmodium vivax glutathione reductase, putative 0.0103 0.2918 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0075 0.0177
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.7051 0.8837
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4217 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0075 0.0177
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.3272 0.5351
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0075 0.0075
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0036 0.081 0.1324
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0261 0.7873 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0075 0.0177
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0075 0.0122
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.081 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0075 0.0122
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0261 0.7873 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0075 0.0177
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0012 0.0075 0.0177
Trypanosoma brucei polo-like protein kinase 0.0114 0.3272 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0075 0.0177
Loa Loa (eye worm) hypothetical protein 0.0012 0.0075 0.0177
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0261 0.7873 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.081 0.192
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0075 0.0177
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3272 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0075 0.0177
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0036 0.081 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3272 1
Giardia lamblia Kinase, PLK 0.0114 0.3272 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0103 0.2937 0.4803
Echinococcus granulosus geminin 0.0205 0.6115 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0075 0.0177
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0075 0.0075
Trypanosoma brucei trypanothione reductase 0.0103 0.2918 0.8561
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0026 0.0513 0.1216
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0075 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0075 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0075 0.0177
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.3272 0.776
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4217 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0075 0.0177
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.7051 0.8837
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0075 0.0075
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3272 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0075 0.0177
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.081 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0075 0.0122
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0075 0.0122
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0075 0.0177
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0075 0.0122
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0075 0.0177
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0036 0.081 0.081
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.3272 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.3272 0.776
Brugia malayi steroid hormone receptor 0.0012 0.0075 0.0177
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0075 0.0075
Mycobacterium tuberculosis Probable reductase 0.0234 0.7051 0.8837
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0075 0.0122
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0075 0.0122
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0103 0.2918 0.2985
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0075 0.0122
Schistosoma mansoni kinase 0.0058 0.1511 0.1511
Schistosoma mansoni hypothetical protein 0.0205 0.6115 0.6115

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5858 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) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 5.1735 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 10 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 11.9173 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 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
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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