Detailed information for compound 1330703

Basic information

Technical information
  • TDR Targets ID: 1330703
  • Name: N-(3-ethylphenyl)-2-(3-formylindol-1-yl)aceta mide
  • MW: 306.358 | Formula: C19H18N2O2
  • H donors: 1 H acceptors: 2 LogP: 3.26 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cccc(c1)NC(=O)Cn1cc(c2c1cccc2)C=O
  • InChi: 1S/C19H18N2O2/c1-2-14-6-5-7-16(10-14)20-19(23)12-21-11-15(13-22)17-8-3-4-9-18(17)21/h3-11,13H,2,12H2,1H3,(H,20,23)
  • InChiKey: AZZHMNPMHVCPJV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-ethylphenyl)-2-(3-formyl-1-indolyl)acetamide
  • N-(3-ethylphenyl)-2-(3-methanoylindol-1-yl)ethanamide
  • MLS000683595
  • N-(3-ethylphenyl)-2-(3-formyl-1H-indol-1-yl)acetamide
  • SMR000311752

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0037 0.0074
Schistosoma mansoni survival motor neuron protein 0.0058 0.0511 0.1023
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0037 0.0074
Onchocerca volvulus 0.0398 0.4013 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0037 0.0037
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0037 0.0018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0037 0.0017
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0123 0.1176 1
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0037 0.0074
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0017
Brugia malayi CXXC zinc finger family protein 0.0035 0.0269 0.0276
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.005 0.0426 0.0852
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0037 0.0037
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0037 0.0074
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0037 0.0017
Loa Loa (eye worm) MH1 domain-containing protein 0.0027 0.0189 0.0186
Onchocerca volvulus Huntingtin homolog 0.0148 0.1435 0.3518
Schistosoma mansoni smad1 5 8 and 0.006 0.0532 0.1065
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0398 0.4013 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0037 0.0018
Echinococcus multilocularis Smad4 0.006 0.0532 0.0532
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0398 0.4013 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0286 0.2853 0.3144
Schistosoma mansoni hypothetical protein 0.0494 0.5 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0017
Echinococcus multilocularis mothers against decapentaplegic 2 0.0027 0.0189 0.0189
Trypanosoma cruzi PAB1-binding protein , putative 0.0111 0.1059 0.8867
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0052 0.0442 0.2883
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0037 0.0074
Schistosoma mansoni Smad4 0.006 0.0532 0.1065
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0205 0.2025 0.2025
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0648 0.6592 0.7296
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0205 0.2025 0.2226
Schistosoma mansoni hypothetical protein 0.0205 0.2025 0.405
Echinococcus granulosus mothers against decapentaplegic 5 0.006 0.0532 0.1065
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0398 0.4013 1
Schistosoma mansoni hypothetical protein 0.0205 0.2025 0.405
Brugia malayi MH2 domain containing protein 0.0885 0.9028 1
Brugia malayi MH2 domain containing protein 0.006 0.0532 0.0568
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0275 0.2748 1
Brugia malayi nuclear receptor NHR-88 0.0012 0.0037 0.0018
Plasmodium vivax ataxin-2 like protein, putative 0.0111 0.1059 1
Brugia malayi steroid hormone receptor 0.0012 0.0037 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0037 0.0018
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.005 0.0426 0.0426
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0037 0.0074
Plasmodium falciparum ataxin-2 like protein, putative 0.0111 0.1059 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0648 0.6592 0.7296
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0037 0.0018
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0037 0.0074
Loa Loa (eye worm) transcription factor SMAD2 0.0885 0.9028 1
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0022 0.0022
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0037 0.0037
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0398 0.4013 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0052 0.0442 0.2883
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5 1
Schistosoma mansoni cpg binding protein 0.0037 0.0289 0.0578
Schistosoma mansoni Smad4 0.0027 0.0189 0.0378
Loa Loa (eye worm) hypothetical protein 0.0033 0.0255 0.0259
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0017
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0037 0.0018
Echinococcus multilocularis cpg binding protein 0.0037 0.0289 0.0289
Schistosoma mansoni smad 0.006 0.0532 0.1065
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0588 0.4848
Loa Loa (eye worm) hypothetical protein 0.0205 0.2025 0.2224
Schistosoma mansoni cpg binding protein 0.0037 0.0289 0.0578
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0052 0.0442 0.2883
Echinococcus granulosus smad 0.006 0.0532 0.1065
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0037 0.0018
Brugia malayi hypothetical protein 0.0286 0.2853 0.3145
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0052 0.0442 0.0442
Schistosoma mansoni hypothetical protein 0.005 0.0426 0.0852
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0037 0.0074
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0037 0.0074
Brugia malayi Smad1 0.006 0.0532 0.0568
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0052 0.0442 0.3251
Loa Loa (eye worm) latrophilin receptor protein 2 0.0205 0.2025 0.2224
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0398 0.4013 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0022 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0037 0.0018
Loa Loa (eye worm) hypothetical protein 0.0148 0.1435 0.157
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0037 0.0018
Loa Loa (eye worm) hypothetical protein 0.0148 0.1435 0.157
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0398 0.4013 0.4432
Brugia malayi hypothetical protein 0.0072 0.0652 0.0701
Brugia malayi hypothetical protein 0.0111 0.1059 0.1153
Schistosoma mansoni hypothetical protein 0.0205 0.2025 0.405
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0037 0.0017
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0398 0.4013 1
Echinococcus granulosus mothers against decapentaplegic 2 0.0027 0.0189 0.0378
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0398 0.4013 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0669 0.1338
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0205 0.2025 0.405
Loa Loa (eye worm) MH2 domain-containing protein 0.0885 0.9028 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0111 0.1059 0.1151
Brugia malayi nuclear hormone receptor 0.0012 0.0037 0.0018
Brugia malayi MH2 domain containing protein 0.0027 0.0189 0.0187
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0017
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0648 0.6592 0.7295
Loa Loa (eye worm) nuclear factor I 0.0033 0.0255 0.0259
Loa Loa (eye worm) hypothetical protein 0.0027 0.0189 0.0186
Toxoplasma gondii LsmAD domain-containing protein 0.0111 0.1059 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0037 0.0074
Trypanosoma brucei PAB1-binding protein , putative 0.0111 0.1059 0.8867
Trypanosoma cruzi PAB1-binding protein , putative 0.0111 0.1059 0.8867
Leishmania major hypothetical protein, conserved 0.0111 0.1059 0.8867
Onchocerca volvulus 0.0035 0.0269 0.0582
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0145 0.029
Trypanosoma cruzi hypothetical protein, conserved 0.0123 0.1176 1
Brugia malayi ecdysteroid receptor 0.0012 0.0037 0.0018
Loa Loa (eye worm) hypothetical protein 0.0648 0.6592 0.7295
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0052 0.0442 0.2883
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0037 0.0074
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0017
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0052 0.0442 0.2883
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0398 0.4013 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0017
Brugia malayi hypothetical protein 0.0148 0.1435 0.1571
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0037 0.0074
Trypanosoma cruzi hypothetical protein, conserved 0.0123 0.1176 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.006 0.0532 0.0532
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0052 0.0442 0.3251
Echinococcus multilocularis mothers against decapentaplegic 6 0.0027 0.0189 0.0189
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0037 0.0017
Brugia malayi MH1 domain containing protein 0.006 0.0532 0.0568
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0145 0.0145
Schistosoma mansoni hypothetical protein 0.0205 0.2025 0.405
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0027 0.0189 0.0382
Echinococcus granulosus GPCR family 2 0.0205 0.2025 0.405
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0037 0.0074
Loa Loa (eye worm) MH1 domain-containing protein 0.006 0.0532 0.0567
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0145 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0511 0.0545
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0037 0.0018
Echinococcus multilocularis isocitrate dehydrogenase 0.0052 0.0442 0.0442
Echinococcus multilocularis smad 0.006 0.0532 0.0532
Echinococcus multilocularis GPCR, family 2 0.0205 0.2025 0.2025
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0037 0.0018
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0037 0.0018
Schistosoma mansoni smad1 5 8 and 0.006 0.0532 0.1065
Echinococcus granulosus mothers against decapentaplegic 6 0.0027 0.0189 0.0378
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0037 0.0017
Brugia malayi isocitrate dehydrogenase 0.0052 0.0442 0.0468
Echinococcus multilocularis TGF beta signal transducer SmadC 0.006 0.0532 0.0532
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0037 0.0017
Brugia malayi MH1 domain containing protein 0.0033 0.0255 0.026
Loa Loa (eye worm) MH2 domain-containing protein 0.0027 0.0189 0.0186
Brugia malayi MH1 domain containing protein 0.006 0.0532 0.0568
Loa Loa (eye worm) MH2 domain-containing protein 0.006 0.0532 0.0567
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0037 0.0018
Schistosoma mansoni ap endonuclease 0.0023 0.0145 0.029
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0123 0.1176 0.2664
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0037 0.0037
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0037 0.0017
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2853 0.2853
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0052 0.0442 0.0442
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0037 0.0074
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0398 0.4013 0.4431
Schistosoma mansoni Smad4 0.0027 0.0189 0.0378
Onchocerca volvulus Huntingtin homolog 0.0148 0.1435 0.3518
Toxoplasma gondii isocitrate dehydrogenase 0.0052 0.0442 0.3251
Schistosoma mansoni cpg binding protein 0.0035 0.0269 0.0537
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0052 0.0442 0.0884
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0398 0.4013 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0052 0.0442 0.1141
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0398 0.4013 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0037 0.0074
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0205 0.2025 0.2025
Brugia malayi Isocitrate dehydrogenase 0.0052 0.0442 0.0468
Plasmodium falciparum ataxin-2 like protein, putative 0.0111 0.1059 1
Schistosoma mansoni hypothetical protein 0.0443 0.4478 0.8956
Schistosoma mansoni hypothetical protein 0.0058 0.0511 0.1023
Loa Loa (eye worm) Smad1 0.006 0.0532 0.0567
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0037 0.0074
Echinococcus granulosus Smad4 0.006 0.0532 0.1065
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0037 0.0037
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0037 0.0018
Schistosoma mansoni coup transcription factor 0.0012 0.0037 0.0074
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0037 0.0074
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0145 0.0137
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0052 0.0442 0.0442
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0123 0.1176 0.2664
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0145 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0037 0.0017
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0037 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0037 0.0018
Schistosoma mansoni smad1 5 8 and 0.006 0.0532 0.1065
Echinococcus granulosus cpg binding protein 0.0037 0.0289 0.0578
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0037 0.0018
Loa Loa (eye worm) isocitrate dehydrogenase 0.0052 0.0442 0.0467
Schistosoma mansoni smad 0.0027 0.0189 0.0378
Brugia malayi latrophilin 2 splice variant baaae 0.0443 0.4478 0.4949
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0037 0.0074
Loa Loa (eye worm) hypothetical protein 0.0012 0.0037 0.0017
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0052 0.0442 0.0442
Schistosoma mansoni ap endonuclease 0.0023 0.0145 0.029
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2853 0.5706
Schistosoma mansoni TGF-beta signal transducer Smad2 0.006 0.0532 0.1065
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0037 0.0037
Leishmania major hypothetical protein, conserved 0.0123 0.1176 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0037 0.0074
Brugia malayi MH2 domain containing protein 0.006 0.0532 0.0568
Brugia malayi mothers against decapentaplegic homolog 3 0.0027 0.0189 0.0187
Toxoplasma gondii isocitrate dehydrogenase 0.0052 0.0442 0.3251
Brugia malayi Latrophilin receptor protein 2 0.0205 0.2025 0.2226
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0269 0.0274
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0145 0.0139
Echinococcus granulosus TGF beta signal transducer SmadC 0.006 0.0532 0.1065
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0052 0.0442 0.0884
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0205 0.2025 0.405
Onchocerca volvulus 0.0058 0.0511 0.1193
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0037 0.0018
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0037 0.0037
Brugia malayi MH1 domain containing protein 0.0033 0.0255 0.026
Loa Loa (eye worm) hypothetical protein 0.0443 0.4478 0.4948
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0037 0.0074

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0141 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.7079 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) 0.7911 uM PubChem BioAssay. HTS assay for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1: Hit Confirmation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5018 uM PubChem BioAssay. qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1: Hit Confirmation using MMS Stimulated ELG1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.807 uM PubChem BioAssay. qHTS screen for small molecules that inhibit ELG1-dependent DNA repair: Hit Confirmation with MMS Viability. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6611 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (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) 25.1189 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) 29.0929 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

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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