Detailed information for compound 1476471

Basic information

Technical information
  • TDR Targets ID: 1476471
  • Name: 3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino ]-3H-2-benzofuran-1-one
  • MW: 322.381 | Formula: C18H14N2O2S
  • H donors: 1 H acceptors: 2 LogP: 4.55 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1csc(n1)NC1OC(=O)c2c1cccc2
  • InChi: 1S/C18H14N2O2S/c1-11-6-8-12(9-7-11)15-10-23-18(19-15)20-16-13-4-2-3-5-14(13)17(21)22-16/h2-10,16H,1H3,(H,19,20)
  • InChiKey: WNRWFAPNPSNQCK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[[4-(4-methylphenyl)thiazol-2-yl]amino]-3H-isobenzofuran-1-one
  • 3-[[4-(4-methylphenyl)-2-thiazolyl]amino]-3H-isobenzofuran-1-one
  • IDI1_011002
  • IFLab1_005599

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens paired box 8 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione 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
Candida albicans Mitochondrial 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
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione 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
Plasmodium knowlesi 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 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
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) pax transcription factor protein 2 Get druggable targets OG5_139945 All targets in OG5_139945
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 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
Neospora caninum hypothetical protein 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Onchocerca volvulus Get druggable targets OG5_139945 All targets in OG5_139945
Plasmodium falciparum thioredoxin 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
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis thioredoxin glutathione 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
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans C terminus of cytosolic NADP-specific 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
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Pax transcription factor protein 2 Get druggable targets OG5_139945 All targets in OG5_139945
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi glutathione 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 brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum 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
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
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 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
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 22.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
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 22.9 %
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
Echinococcus granulosus Sterile alpha motif SAM 0.0049 0.0031 0.0053
Echinococcus granulosus endonuclease exonuclease phosphatase 0.1003 0.5972 1
Echinococcus granulosus SAM and MBT domain containing protein 0.074 0.4338 0.7264
Echinococcus multilocularis histone acetyltransferase myst3 0.0078 0.0217 0.0364
Brugia malayi mbt repeat family protein 0.0879 0.5204 1
Echinococcus multilocularis polycomb protein SCMH1 0.0511 0.2912 0.4876
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0049 0.0034 0.0057
Schistosoma mansoni DNAj-like protein 0.0049 0.0031 0.0031
Echinococcus multilocularis polyhomeotic protein 2 0.0049 0.0031 0.0053
Schistosoma mansoni hypothetical protein 0.063 0.3649 0.3649
Echinococcus granulosus histone acetyltransferase myst3 0.0078 0.0217 0.0364
Echinococcus multilocularis polyhomeotic proximal chromatin protein 0.0049 0.0031 0.0053
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0879 0.5204 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0184 0.0877 0.1469
Schistosoma mansoni jumonji/arid domain-containing protein 0.0179 0.0844 0.0844
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0052 0.0053 0.0089
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0052 0.0053 0.0053
Brugia malayi hypothetical protein 0.0365 0.2001 0.3846
Echinococcus multilocularis geminin 0.0205 0.1003 0.168
Loa Loa (eye worm) hypothetical protein 0.0879 0.5204 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0179 0.0844 0.0844
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.054 0.8342
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0052 0.0053 0.0089
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.022 0.1096 0.1835
Schistosoma mansoni polyhomeotic 0.0049 0.0031 0.0031
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0085 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0631 1
Schistosoma mansoni chromobox protein 0.0379 0.209 0.209
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0049 0.0034 0.0057
Schistosoma mansoni sex comb on midleg homolog 0.0511 0.2912 0.2912
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0264 0.137 0.2588
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.063 0.3649 0.6109
Brugia malayi AIDA-1b 0.0049 0.0031 0.0061
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0631 1
Onchocerca volvulus 0.0291 0.1539 0.2914
Schistosoma mansoni Protein aveugle 0.0049 0.0031 0.0031
Echinococcus granulosus liprin alpha 2 0.0049 0.0031 0.0053
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Schistosoma mansoni lar interacting protein (lip)-related protein 0.0049 0.0031 0.0031
Schistosoma mansoni jumonji domain containing protein 0.0049 0.0034 0.0034
Echinococcus multilocularis SAM and MBT domain containing protein 0.074 0.4338 0.7264
Toxoplasma gondii PLU-1 family protein 0.0085 0.0256 1
Schistosoma mansoni phd finger protein 0.0078 0.0217 0.0217
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.054 0.8342
Trichomonas vaginalis c2h2 zinc finger protein, putative 0.0049 0.0031 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0104 0.0141
Echinococcus multilocularis lysine specific demethylase 5A 0.0149 0.0658 0.1102
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0104 0.02
Onchocerca volvulus 0.0365 0.2001 0.3808
Echinococcus granulosus chromobox protein 2 0.0379 0.209 0.3499
Echinococcus granulosus lysine specific demethylase 5A 0.0179 0.0844 0.1413
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0062 0.0117 0.3694
Loa Loa (eye worm) hypothetical protein 0.006 0.0104 0.0141
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0184 0.0877 0.1685
Loa Loa (eye worm) hypothetical protein 0.0365 0.2001 0.3808
Echinococcus multilocularis chromobox protein 2 0.0379 0.209 0.3499
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0184 0.0877 0.1469
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.054 0.8342
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.1003 0.5972 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.022 0.1096 0.1835
Echinococcus granulosus sterile alpha and tir motif containing protein 0.0049 0.0031 0.0053
Plasmodium falciparum thioredoxin reductase 0.0057 0.0085 1
Echinococcus granulosus liprin alpha 2 0.0049 0.0031 0.0053
Brugia malayi hypothetical protein 0.0049 0.0031 0.0061
Brugia malayi Thioredoxin reductase 0.0057 0.0085 0.0163
Loa Loa (eye worm) MBCTL1 0.0184 0.0877 0.1635
Schistosoma mansoni Protein aveugle 0.0049 0.0031 0.0031
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0104 0.02
Plasmodium falciparum glutathione reductase 0.0057 0.0085 1
Trichomonas vaginalis cgi-62, putative 0.0049 0.0031 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.1003 0.1003
Brugia malayi Shank2E 0.0049 0.0031 0.0061
Echinococcus granulosus Sterile alpha motif type 0.0049 0.0031 0.0053
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0085 0.0142
Mycobacterium tuberculosis Probable reductase 0.013 0.054 0.8342
Echinococcus granulosus polyhomeotic protein 2 0.0049 0.0031 0.0053
Brugia malayi jmjC domain containing protein 0.0264 0.137 0.2632
Schistosoma mansoni sex comb on midleg homolog 0.0511 0.2912 0.2912
Echinococcus granulosus pdz domain containing protein 0.0049 0.0031 0.0053
Giardia lamblia Kinesin-13 0.0049 0.0031 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0631 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0184 0.0877 0.1469
Echinococcus multilocularis sterile alpha and tir motif containing protein 0.0049 0.0031 0.0053
Brugia malayi Liprin-alpha 2 0.0049 0.0031 0.0061
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0085 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0085 0.0142
Schistosoma mansoni lip-related protein (liprin) alpha 0.0049 0.0031 0.0031
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Loa Loa (eye worm) glutathione reductase 0.0057 0.0085 0.0103
Echinococcus multilocularis histone acetyltransferase MYST2 0.0184 0.0877 0.1469
Brugia malayi jmjC domain containing protein 0.0049 0.0034 0.0065
Leishmania major trypanothione reductase 0.0057 0.0085 0.5
Echinococcus multilocularis liprin alpha 2 0.0049 0.0031 0.0053
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0627 0.1151
Brugia malayi cask-interacting protein 2 0.0049 0.0031 0.0061
Echinococcus granulosus polycomb protein SCMH1 0.0511 0.2912 0.4876
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.074 0.4338 0.4338
Echinococcus multilocularis pdz domain containing protein 0.0049 0.0031 0.0053
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0631 1
Brugia malayi MH2 domain containing protein 0.0144 0.0627 0.1205
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0085 0.0103
Toxoplasma gondii thioredoxin reductase 0.0057 0.0085 0.2235
Echinococcus granulosus geminin 0.0205 0.1003 0.168
Echinococcus multilocularis Sterile alpha motif SAM 0.0049 0.0031 0.0053
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Giardia lamblia Giardia trophozoite antigen GTA-1 0.0049 0.0031 0.5
Plasmodium vivax JmjC domain containing protein 0.0056 0.0078 0.8645
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0049 0.0031 0.0053
Schistosoma mansoni myelin transcription factor 1 myt1 0.0184 0.0877 0.0877
Schistosoma mansoni hypothetical protein 0.0049 0.0031 0.0031
Brugia malayi mbt repeat family protein 0.0532 0.3041 0.5843
Echinococcus multilocularis liprin alpha 2 0.0049 0.0031 0.0053
Schistosoma mansoni spingomyelin synthetase-related 0.0049 0.0031 0.0031
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.063 0.3649 0.6109
Echinococcus granulosus sphingomyelin synthase protein 1 0.0049 0.0031 0.0053
Echinococcus granulosus polyhomeotic proximal chromatin protein 0.0049 0.0031 0.0053
Loa Loa (eye worm) CHromoDomain protein family member 0.0052 0.0053 0.0042
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0627 0.1151
Plasmodium vivax glutathione reductase, putative 0.0057 0.0085 1
Brugia malayi Pax transcription factor protein 2 0.0291 0.1539 0.2957
Loa Loa (eye worm) hypothetical protein 0.0184 0.0877 0.1635
Echinococcus multilocularis Sterile alpha motif type 0.0049 0.0031 0.0053
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0031 0.5
Brugia malayi sterile alpha and TIR motif containing protein 1 isoform a 0.0049 0.0031 0.0061
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.054 0.8342
Brugia malayi glutathione reductase 0.0057 0.0085 0.0163
Loa Loa (eye worm) pax transcription factor protein 2 0.0291 0.1539 0.2914
Brugia malayi bicaudal-C 0.0049 0.0031 0.0061
Loa Loa (eye worm) mbt repeat family protein 0.0532 0.3041 0.5818
Schistosoma mansoni hypothetical protein 0.0049 0.0031 0.0031
Brugia malayi coiled-coil like protein 1 0.0049 0.0031 0.0061
Brugia malayi hypothetical protein 0.0049 0.0031 0.0061
Schistosoma mansoni hypothetical protein 0.0205 0.1003 0.1003
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.054 0.8342
Trypanosoma brucei trypanothione reductase 0.0057 0.0085 1
Brugia malayi Sphingomyelin synthase-related 1 0.0049 0.0031 0.0061
Onchocerca volvulus 0.058 0.3343 0.6402
Brugia malayi CHD4 protein 0.0052 0.0053 0.0102

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 7.58 uM PubChem BioAssay. HTS for PAX8 inhibitors using PAX8 luciferase reporter gene assay in RMG-I cells Measured in Cell-Based System Using Plate Reader - 7054-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] 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) 14.0441 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.7578 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of Nrf2 Activators. (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) 18.3564 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) 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) 18.526 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) 19.9526 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) 22.2584 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3G interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.0999 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) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 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) = 28.1838 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) = 28.1838 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) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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