Detailed information for compound 78013

Basic information

Technical information
  • TDR Targets ID: 78013
  • Name: 4-chloro-3-nitro-N,N-dipropylbenzenesulfonami de
  • MW: 320.792 | Formula: C12H17ClN2O4S
  • H donors: 0 H acceptors: 4 LogP: 3.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)CCC
  • InChi: 1S/C12H17ClN2O4S/c1-3-7-14(8-4-2)20(18,19)10-5-6-11(13)12(9-10)15(16)17/h5-6,9H,3-4,7-8H2,1-2H3
  • InChiKey: VZYMGVKXGSEFDE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-chloro-3-nitro-N,N-dipropyl-benzenesulfonamide
  • ZINC04263354
  • MLS000676585
  • SMR000298461
  • EU-0029924

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens vascular cell adhesion molecule 1 Starlite/ChEMBL References
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi glutathione reductase 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
Plasmodium berghei 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Theileria parva 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
Neospora caninum Glutathione reductase, related 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
Toxoplasma gondii 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
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium knowlesi thioredoxin 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
Loa Loa (eye worm) 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
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
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Leishmania braziliensis 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
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
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
Trypanosoma congolense trypanothione 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) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
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 483 aa 23.0 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
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 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
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 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, 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 %
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 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
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 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
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 465 aa 27.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Leishmania donovani 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 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis replication factor c subunit 1 0.0012 0.0021 0.0034
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0847 0.1588
Echinococcus multilocularis geminin 0.0205 0.6098 1
Schistosoma mansoni hypothetical protein 0.0038 0.0847 0.0847
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0769 0.2611
Brugia malayi hypothetical protein 0.0012 0.0021 0.0039
Plasmodium falciparum thioredoxin reductase 0.0103 0.2886 1
Echinococcus granulosus nibrin 0.0012 0.0021 0.0034
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0036 0.0769 0.2611
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.3442 0.6454
Brugia malayi DKFZp564C0469 protein 0.0012 0.0021 0.0039
Schistosoma mansoni cell adhesion molecule 0.0015 0.0115 0.0115
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0769 0.2611
Trichomonas vaginalis mercuric reductase, putative 0.0036 0.0769 1
Echinococcus multilocularis roundabout 2 0.0018 0.0206 0.0338
Brugia malayi MH2 domain containing protein 0.0144 0.4191 0.7859
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0847 0.1588
Loa Loa (eye worm) hypothetical protein 0.0018 0.0206 0.0386
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0036 0.0769 1
Echinococcus granulosus roundabout 2 0.0018 0.0206 0.0338
Brugia malayi Pax transcription activation domain interacting protein 0.0012 0.0021 0.0039
Trypanosoma cruzi trypanothione reductase, putative 0.0103 0.2886 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.7038 0.8837
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0847 0.1389
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0036 0.0769 1
Schistosoma mansoni hypothetical protein 0.0038 0.0847 0.0847
Treponema pallidum NADH oxidase 0.0036 0.0769 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.2241 0.4201
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0261 0.7863 1
Toxoplasma gondii NADPH-glutathione reductase 0.0036 0.0769 0.2611
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0036 0.0769 0.2611
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.7038 0.8837
Trypanosoma brucei trypanothione reductase 0.0103 0.2886 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0036 0.0769 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0769 1
Loa Loa (eye worm) thioredoxin reductase 0.0103 0.2886 0.5412
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4191 0.7859
Loa Loa (eye worm) hypothetical protein 0.0012 0.0021 0.0039
Plasmodium vivax thioredoxin reductase, putative 0.0103 0.2886 1
Schistosoma mansoni chromosome transmission fidelity factor 0.0012 0.0021 0.0021
Giardia lamblia NADH oxidase lateral transfer candidate 0.0036 0.0769 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.3442 0.6454
Echinococcus granulosus GPCR family 2 0.0038 0.0847 0.1389
Mycobacterium tuberculosis Probable reductase 0.0234 0.7038 0.8837
Brugia malayi Thioredoxin reductase 0.0103 0.2886 0.5412
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0036 0.0769 0.2611
Loa Loa (eye worm) hypothetical protein 0.0012 0.0021 0.0039
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.3442 0.6454
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0036 0.0769 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0015 0.0115 0.0217
Loa Loa (eye worm) hypothetical protein 0.018 0.5333 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.0115 0.0217
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0769 0.2611
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.0847 0.1389
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0769 0.2611
Echinococcus multilocularis muscleblind protein 1 0.018 0.5333 0.8747
Echinococcus granulosus replication factor c subunit 1 0.0012 0.0021 0.0034
Toxoplasma gondii thioredoxin reductase 0.0103 0.2886 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0036 0.0769 0.1261
Echinococcus multilocularis nibrin 0.0012 0.0021 0.0034
Echinococcus multilocularis thioredoxin glutathione reductase 0.0103 0.2906 0.4765
Loa Loa (eye worm) hypothetical protein 0.0012 0.0021 0.0039
Schistosoma mansoni nephrin 0.0014 0.009 0.009
Schistosoma mansoni DNA ligase IV 0.0012 0.0021 0.0021
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0103 0.2886 0.2985
Schistosoma mansoni hypothetical protein 0.0082 0.2241 0.2241
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0036 0.0769 0.2611
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0234 0.7038 0.8948
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0036 0.0769 0.2611
Loa Loa (eye worm) glutathione reductase 0.0103 0.2886 0.5412
Echinococcus multilocularis GPCR, family 2 0.0038 0.0847 0.1389
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0769 0.2611
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0026 0.0471 0.0882
Plasmodium vivax glutathione reductase, putative 0.0103 0.2886 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.7038 0.8837
Loa Loa (eye worm) hypothetical protein 0.0012 0.0021 0.0039
Echinococcus granulosus geminin 0.0205 0.6098 1
Schistosoma mansoni hypothetical protein 0.0038 0.0847 0.0847
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0769 0.2611
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.2241 0.4201
Schistosoma mansoni topbp1 0.0012 0.0021 0.0021
Schistosoma mansoni topbp1 0.0012 0.0021 0.0021
Brugia malayi glutathione reductase 0.0103 0.2886 0.5412
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0769 0.2611
Onchocerca volvulus 0.0012 0.0021 0.5
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0036 0.0769 0.2611
Trichomonas vaginalis glutathione reductase, putative 0.0036 0.0769 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0847 0.1389
Loa Loa (eye worm) hypothetical protein 0.0012 0.0021 0.0039
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.7038 0.8837
Plasmodium falciparum thioredoxin reductase 0.0036 0.0769 0.2611
Loa Loa (eye worm) hypothetical protein 0.018 0.5333 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0036 0.0769 0.2611
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.0847 0.1389
Brugia malayi Muscleblind-like protein 0.018 0.5333 1
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.0769 0.2611
Echinococcus granulosus neuroglian 0.0014 0.009 0.0148
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0012 0.0021 0.0039
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.0769 0.1441
Plasmodium falciparum glutathione reductase 0.0036 0.0769 0.2611
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0261 0.7863 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0036 0.0769 0.0769
Loa Loa (eye worm) hypothetical protein 0.0015 0.0115 0.0217
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4191 0.7859
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0769 0.2611
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0115 0.0189
Echinococcus multilocularis muscleblind protein 0.018 0.5333 0.8747
Loa Loa (eye worm) hypothetical protein 0.0018 0.0206 0.0386
Schistosoma mansoni hypothetical protein 0.0038 0.0847 0.0847
Echinococcus granulosus twitchin 0.0014 0.009 0.0148
Schistosoma mansoni hypothetical protein 0.0205 0.6098 0.6098
Plasmodium falciparum glutathione reductase 0.0103 0.2886 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0103 0.2906 0.4765
Loa Loa (eye worm) hypothetical protein 0.012 0.3442 0.6454
Schistosoma mansoni hypothetical protein 0.0205 0.6098 0.6098
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.7038 0.8837
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0769 0.2611
Leishmania major trypanothione reductase 0.0103 0.2886 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0036 0.0769 0.1261
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0769 1
Brugia malayi topoisomerase 0.0012 0.0021 0.0039
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0847 0.1588
Brugia malayi hypothetical protein 0.0012 0.0021 0.0039
Echinococcus granulosus muscleblind protein 0.018 0.5333 0.8747
Echinococcus multilocularis neuroglian 0.0014 0.009 0.0148
Entamoeba histolytica hypothetical protein 0.0012 0.0021 0.5
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0026 0.0471 0.0882
Mycobacterium tuberculosis Probable oxidoreductase 0.0261 0.7863 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0021 0.0039
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0769 0.2611
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0261 0.7863 1
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0012 0.0021 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0847 0.1588

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 9 uM Ability to inhibit expression of Vascular cell adhesion molecule 1 ChEMBL. 11459640
IC50 (binding) = 9 uM Ability to inhibit expression of Vascular cell adhesion molecule 1 ChEMBL. 11459640
Potency (functional) 5.0119 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) 5.6234 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) = 12.5893 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) 12.5893 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) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 17.7828 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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) 22.3872 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 39.8107 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) 50.1187 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) 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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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