Detailed information for compound 1403515

Basic information

Technical information
  • TDR Targets ID: 1403515
  • Name: 3,4,6-trimethyl-N-[(4-sulfamoylphenyl)methyl] -1-benzofuran-2-carboxamide
  • MW: 372.438 | Formula: C19H20N2O4S
  • H donors: 2 H acceptors: 3 LogP: 3.09 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)c2c(c1)oc(c2C)C(=O)NCc1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C19H20N2O4S/c1-11-8-12(2)17-13(3)18(25-16(17)9-11)19(22)21-10-14-4-6-15(7-5-14)26(20,23)24/h4-9H,10H2,1-3H3,(H,21,22)(H2,20,23,24)
  • InChiKey: IVHZLZRFYIACML-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3,4,6-trimethyl-N-[(4-sulfamoylphenyl)methyl]benzofuran-2-carboxamide
  • 3,4,6-trimethyl-N-[(4-sulfamoylphenyl)methyl]-2-benzofurancarboxamide
  • 3,4,6-trimethyl-N-(4-sulfamoylbenzyl)benzofuran-2-carboxamide
  • AR-318/42872672
  • MLS000705412
  • N-[4-(aminosulfonyl)benzyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide
  • SMR000232046
  • ZINC00634049

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens peroxisome proliferator-activated receptor gamma No references
Homo sapiens nuclear receptor corepressor 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 2, group E, member 3 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi photoreceptor-specific nuclear receptor Get druggable targets OG5_135311 All targets in OG5_135311
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_135311 All targets in OG5_135311
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus nuclear receptor co repressor related ncor Get druggable targets OG5_131772 All targets in OG5_131772
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis nuclear receptor co repressor related (ncor) Get druggable targets OG5_131772 All targets in OG5_131772
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus ecdysone induced protein 78C peroxisome proliferator-activated receptor gamma 477 aa 447 aa 28.2 %
Brugia malayi Nuclear hormone receptor family member nhr-49 nuclear receptor subfamily 2, group E, member 3 410 aa 384 aa 28.1 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0034 0.0511 0.0535
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0009
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0034 0.0511 0.0503
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0009
Plasmodium vivax hexokinase, putative 0.0318 0.9538 1
Echinococcus granulosus FTZ F1 alpha 0.0034 0.0511 0.0503
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0052 0.5
Schistosoma mansoni hexokinase 0.0318 0.9538 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0511 0.0535
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0034 0.0511 0.0527
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0034 0.0511 0.0035
Trypanosoma brucei hexokinase 0.0318 0.9538 1
Trypanosoma brucei hexokinase, putative 0.0318 0.9538 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0034 0.0511 0.0035
Brugia malayi photoreceptor-specific nuclear receptor 0.0319 0.9553 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0511 0.0535
Schistosoma mansoni nuclear hormone receptor 0.0034 0.0511 0.0527
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0018 0.0009 0.0009
Leishmania major hexokinase, putative 0.0318 0.9538 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0511 0.0535
Echinococcus multilocularis musashi 0.0033 0.048 0.0471
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0511 0.0503
Echinococcus multilocularis hexokinase 0.0318 0.9538 0.9537
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0052 0.0043
Onchocerca volvulus 0.02 0.5777 0.5849
Echinococcus multilocularis thyroid hormone receptor alpha 0.0034 0.0511 0.0503
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0034 0.0511 0.0535
Loa Loa (eye worm) steroid hormone receptor 0.0034 0.0511 0.0535
Echinococcus multilocularis hexokinase 0.0318 0.9538 0.9537
Echinococcus granulosus hexokinase 0.0318 0.9538 0.9537
Trypanosoma cruzi hexokinase, putative 0.0318 0.9538 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0511 0.0535
Loa Loa (eye worm) hexokinase 0.0098 0.2569 0.2689
Echinococcus multilocularis lamin 0.0033 0.048 0.0471
Brugia malayi steroid hormone receptor 0.0034 0.0511 0.0535
Brugia malayi Hexokinase family protein 0.0318 0.9538 0.9984
Brugia malayi hypothetical protein 0.0018 0.0009 0.0009
Schistosoma mansoni lamin 0.0033 0.048 0.0494
Entamoeba histolytica hexokinase 2 0.0318 0.9538 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0034 0.0511 0.0535
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0009 0.0009
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0034 0.0511 0.0503
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0511 0.0535
Onchocerca volvulus Bile acid receptor homolog 0.0034 0.0511 0.0035
Loa Loa (eye worm) hypothetical protein 0.0034 0.0511 0.0535
Loa Loa (eye worm) hypothetical protein 0.0101 0.2655 0.2779
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0511 0.0527
Brugia malayi hexokinase type II 0.0101 0.2655 0.2779
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0511 0.0503
Loa Loa (eye worm) hexokinase 0.0318 0.9538 0.9984
Brugia malayi Hexokinase family protein 0.0098 0.2569 0.2689
Entamoeba histolytica hexokinase 1 0.0318 0.9538 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0034 0.0511 0.0535
Brugia malayi Hexokinase family protein 0.02 0.5777 0.6048
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0052 0.0054
Echinococcus granulosus lamin 0.0033 0.048 0.0471
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0034 0.0511 0.0535
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0511 0.0535
Schistosoma mansoni hypothetical protein 0.0205 0.5937 0.6221
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0009
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0034 0.0511 0.0503
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0034 0.0511 0.0527
Echinococcus multilocularis FTZ F1 alpha 0.0034 0.0511 0.0503
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0511 0.0503
Schistosoma mansoni lamin 0.0033 0.048 0.0494
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0511 0.0535
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0052 0.0043
Brugia malayi hypothetical protein 0.0018 0.0009 0.0009
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0034 0.0511 0.0503
Echinococcus granulosus ecdysone induced protein 78C 0.0034 0.0511 0.0503
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0511 0.0527
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0034 0.0511 0.0503
Schistosoma mansoni steroid hormone receptor ad4bp 0.0034 0.0511 0.0527
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0034 0.0511 0.0535
Schistosoma mansoni retinoic acid receptor RXR 0.0034 0.0511 0.0527
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0034 0.0511 0.0535
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0009
Echinococcus granulosus hexokinase 0.0318 0.9538 0.9537
Leishmania major hexokinase, putative 0.0318 0.9538 1
Trypanosoma cruzi hexokinase, putative 0.0318 0.9538 1
Brugia malayi ecdysteroid receptor 0.0034 0.0511 0.0535
Brugia malayi nuclear receptor NHR-88 0.0034 0.0511 0.0535
Treponema pallidum hexokinase (hxk) 0.0318 0.9538 0.5
Echinococcus multilocularis hexokinase 0.0318 0.9538 0.9537
Brugia malayi nuclear receptor RXR 0.0018 0.0009 0.0009
Loa Loa (eye worm) hexokinase 0.0318 0.9538 0.9984
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0034 0.0511 0.0535
Echinococcus granulosus hexokinase type 2 0.0318 0.9538 0.9537
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0511 0.0503
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0052 0.0054
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0034 0.0511 0.0503
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0034 0.0511 0.0503
Onchocerca volvulus Hexokinase homolog 0.02 0.5777 0.5849
Echinococcus multilocularis hexokinase type 2 0.0318 0.9538 0.9537
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0034 0.0511 0.0535
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0511 0.0535
Onchocerca volvulus 0.0034 0.0511 0.0035
Loa Loa (eye worm) hypothetical protein 0.0034 0.0511 0.0535
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0034 0.0511 0.0535
Loa Loa (eye worm) hypothetical protein 0.0032 0.0461 0.0482
Toxoplasma gondii hexokinase 0.0318 0.9538 1
Brugia malayi hexokinase 0.0318 0.9538 0.9984
Plasmodium falciparum hexokinase 0.0318 0.9538 1
Echinococcus granulosus geminin 0.0205 0.5937 0.5933
Loa Loa (eye worm) hypothetical protein 0.0101 0.2655 0.2779
Loa Loa (eye worm) hexokinase type II 0.0318 0.9538 0.9984
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.048 0.0502
Loa Loa (eye worm) hypothetical protein 0.0217 0.6329 0.6625
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0511 0.0535
Schistosoma mansoni RAR-like nuclear receptor 0.0034 0.0511 0.0527
Loa Loa (eye worm) hypothetical protein 0.0034 0.0511 0.0535
Loa Loa (eye worm) intermediate filament protein 0.0033 0.048 0.0502
Brugia malayi nuclear hormone receptor 0.0034 0.0511 0.0535
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0034 0.0511 0.0535
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0034 0.0511 0.0527
Onchocerca volvulus 0.0318 0.9538 1
Echinococcus granulosus lamin dm0 0.0033 0.048 0.0471
Loa Loa (eye worm) hypothetical protein 0.0033 0.048 0.0502
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0009
Echinococcus granulosus intermediate filament protein 0.0033 0.048 0.0471
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0034 0.0511 0.0527
Schistosoma mansoni coup transcription factor 0.0034 0.0511 0.0527
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0009 0.0009
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0052 0.0043
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0052 0.0043
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0052 0.0045
Echinococcus multilocularis ecdysone induced protein 78C 0.0034 0.0511 0.0503
Loa Loa (eye worm) hypothetical protein 0.0034 0.0511 0.0535
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0034 0.0511 0.0535
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0034 0.0511 0.0535
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0034 0.0511 0.0535
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0034 0.0511 0.0503
Echinococcus granulosus hexokinase 0.0318 0.9538 0.9537
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0034 0.0511 0.0527
Echinococcus multilocularis geminin 0.0205 0.5937 0.5933
Brugia malayi Steroid receptor seven-up type 2 0.0034 0.0511 0.0535
Loa Loa (eye worm) hypothetical protein 0.0034 0.0511 0.0535
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0052 0.0043
Echinococcus multilocularis lamin dm0 0.0033 0.048 0.0471
Brugia malayi isocitrate dehydrogenase 0.0019 0.0052 0.0054
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0034 0.0511 0.0527
Schistosoma mansoni intermediate filament proteins 0.0033 0.048 0.0494
Brugia malayi intermediate filament protein 0.0033 0.048 0.0502
Loa Loa (eye worm) hypothetical protein 0.0319 0.9553 1
Onchocerca volvulus 0.0318 0.9538 1
Schistosoma mansoni hypothetical protein 0.0205 0.5937 0.6221
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.048 0.0502
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0034 0.0511 0.0503
Onchocerca volvulus 0.0318 0.9538 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0052 0.0043
Loa Loa (eye worm) hexokinase 0.02 0.5777 0.6048
Trypanosoma brucei hexokinase 0.0318 0.9538 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.994 um PUBCHEM_BIOASSAY: Counterscreen for NR2E3 inverse agonists: TR-FRET-based biochemical high throughput dose response assay to identify inverse agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear receptor co-repressor 2 (NCOR2). (Class of assay: confirmatory) [Related pubchem assays: 2379 (Confirmation (NR2E3 agonists in quadruplicate)), 2759 (Dose response counterscreen (PPARg and NCOR2 interaction agonists in triplicate)), 2758 (Dose response (NR2E3 agonists in quadruplicate)), 2325 (Summary (NR2E3 agonists)), 2300 (Primary screen (NR2E3 agonists in singlicate))] ChEMBL. No reference
IC50 (functional) = 4.062 um PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay to identify NR2E3 inverse agonists. (Class of assay: confirmatory) [Related pubchem assays: 2379 (Confirmation (NR2E3 agonists in quadruplicate)), 2759 (Dose response counterscreen (PPARg and NCOR2 interaction agonists in triplicate)), 2758 (Dose response (NR2E3 agonists in quadruplicate)), 2325 (Summary (NR2E3 agonists)), 2300 (Primary screen (NR2E3 agonists in singlicate))] ChEMBL. No reference
Potency (functional) = 0.1259 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5174 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) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 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) 18.3564 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.