Detailed information for compound 1331562

Basic information

Technical information
  • TDR Targets ID: 1331562
  • Name: methyl 2-[7-[2-(3,4-dimethoxyphenyl)-2-oxoeth oxy]-4-methyl-2-oxochromen-3-yl]acetate
  • MW: 426.416 | Formula: C23H22O8
  • H donors: 0 H acceptors: 3 LogP: 2.95 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)OCC(=O)c1ccc(c(c1)OC)OC
  • InChi: 1S/C23H22O8/c1-13-16-7-6-15(10-20(16)31-23(26)17(13)11-22(25)29-4)30-12-18(24)14-5-8-19(27-2)21(9-14)28-3/h5-10H,11-12H2,1-4H3
  • InChiKey: JACFJFMIYYWDBU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 2-[7-[2-(3,4-dimethoxyphenyl)-2-oxo-ethoxy]-4-methyl-2-oxo-chromen-3-yl]acetate
  • 2-[7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-4-methyl-2-oxo-3-chromenyl]acetic acid methyl ester
  • 2-[7-[2-(3,4-dimethoxyphenyl)-2-keto-ethoxy]-2-keto-4-methyl-chromen-3-yl]acetic acid methyl ester
  • methyl 2-[7-[2-(3,4-dimethoxyphenyl)-2-oxo-ethoxy]-4-methyl-2-oxo-chromen-3-yl]ethanoate
  • STOCK1N-67494

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens ATM serine/threonine kinase Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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_131570 All targets in OG5_131570
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein 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
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ataxia telangiectasia mutated (atm) Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii FATC domain-containing protein Get druggable targets OG5_128955 All targets in OG5_128955
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis ap endonuclease, 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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Treponema pallidum exodeoxyribonuclease (exoA) 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
Candida albicans identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania braziliensis phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania mexicana phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania major phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei gambiense phosphatidylinositol kinase domain protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
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
Echinococcus granulosus serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Schistosoma japonicum ko:K04728 ataxia telangectasia mutated family protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Brugia malayi exodeoxyribonuclease III family protein 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
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
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
Leishmania major phosphatidylinositol 3-kinase, putative 0.0022 0.0356 0.2812
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0388 0.5736
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.003 0.0653 0.2676
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0901 0.3991
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0356 0.0397
Schistosoma mansoni ap endonuclease 0.0023 0.0388 0.1573
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Schistosoma mansoni hypothetical protein 0.0043 0.1142 0.4711
Leishmania major phosphatidylinositol kinase related protein, putative 0.0022 0.0358 0.2848
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0388 0.0379
Echinococcus granulosus fetal alzheimer antigen falz 0.0029 0.0624 0.2765
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Entamoeba histolytica hypothetical protein 0.0043 0.1142 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0653 0.0644
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0358 0.5278
Brugia malayi hypothetical protein 0.003 0.0669 0.0756
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0022 0.0356 0.4855
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0669 0.2976
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0356 0.1578
Loa Loa (eye worm) hypothetical protein 0.0057 0.165 0.1889
Brugia malayi Bromodomain containing protein 0.0093 0.293 0.3346
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0468 0.0536
Schistosoma mansoni hypothetical protein 0.0025 0.0468 0.1907
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0311 0.1377
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0074 0.2257 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0311 0.1377
Onchocerca volvulus 0.0037 0.0901 0.0084
Schistosoma mansoni zinc finger protein 0.0026 0.0494 0.2013
Echinococcus multilocularis zinc finger protein 0.0026 0.0494 0.2187
Loa Loa (eye worm) hypothetical protein 0.0012 0.001 0.0011
Schistosoma mansoni cpg binding protein 0.0039 0.0979 0.4033
Entamoeba histolytica hypothetical protein 0.0043 0.1142 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0022 0.0356 0.2812
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Trichomonas vaginalis PIKK family atypical protein kinase 0.0014 0.0061 0.0051
Plasmodium vivax SET domain protein, putative 0.0037 0.0901 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.165 0.7312
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Echinococcus granulosus serine protein kinase ATM 0.003 0.0653 0.2893
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0669 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0669 0.5483
Trypanosoma cruzi ISWI complex protein 0.0018 0.0234 0.3398
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0029 0.0624 0.2555
Brugia malayi CXXC zinc finger family protein 0.0035 0.0823 0.0933
Loa Loa (eye worm) hypothetical protein 0.0046 0.1248 0.1428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Toxoplasma gondii target of rapamycin (TOR), putative 0.0022 0.0356 0.1445
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0388 0.3339
Schistosoma mansoni hypothetical protein 0.0014 0.0058 0.0202
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0669 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0388 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.1508 0.1726
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0022 0.0356 0.4855
Echinococcus granulosus cpg binding protein 0.0039 0.0979 0.4339
Trypanosoma cruzi ISWI complex protein 0.0018 0.0234 0.3398
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1142 0.4711
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0356 0.0408
Echinococcus granulosus zinc finger protein 0.0026 0.0494 0.2187
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0069
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1142 0.5062
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.0653 0.0737
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0388 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0901 0.411
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.2287 0.9469
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1142 0.5062
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0669 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0356 0.5255
Schistosoma mansoni bromodomain containing protein 0.0078 0.2414 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0338 0.0387
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0388 0.0433
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0356 0.1441
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0388 0.1718
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0022 0.0356 0.4855
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0823 0.0943
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0022 0.0356 0.3059
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0022 0.0356 0.5255
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0901 0.3706
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0061 0.0051
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0022 0.0356 0.2812
Schistosoma mansoni cpg binding protein 0.0035 0.0823 0.3385
Schistosoma mansoni ap endonuclease 0.0023 0.0388 0.1573
Loa Loa (eye worm) hypothetical protein 0.0085 0.267 0.3056
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0356 0.1578
Brugia malayi F/Y-rich N-terminus family protein 0.0014 0.0079 0.008
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.165 0.6823
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0669 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0388 0.3541
Brugia malayi PHD-finger family protein 0.0032 0.0728 0.0823
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0022 0.0356 0.4855
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0311 0.1253
Brugia malayi Pre-SET motif family protein 0.0037 0.0901 0.1021
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.003 0.0653 0.9736
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0022 0.0356 0.1578
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0058 0.0257
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0388 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0311 0.1253
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0356 0.0408
Echinococcus multilocularis cpg binding protein 0.0039 0.0979 0.4339
Leishmania major hypothetical protein, conserved 0.003 0.0669 1
Toxoplasma gondii exonuclease III APE 0.0023 0.0388 0.16
Brugia malayi Bromodomain containing protein 0.0046 0.1245 0.1415
Trypanosoma brucei ISWI complex protein 0.0018 0.0234 0.2842
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0022 0.0356 0.3059
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0388 0.0379
Trypanosoma cruzi target of rapamycin kinase 3 0.0022 0.0356 0.5255
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0388 0.5
Schistosoma mansoni cpg binding protein 0.0039 0.0979 0.4033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0022 0.0356 0.1578
Loa Loa (eye worm) hypothetical protein 0.0026 0.05 0.0572
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0029 0.0624 0.2765
Toxoplasma gondii FATC domain-containing protein 0.003 0.0653 0.2897
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0022 0.0356 0.4855
Brugia malayi hypothetical protein 0.002 0.0276 0.0306
Toxoplasma gondii histone lysine methyltransferase SET1 0.007 0.2105 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.05 0.7438
Loa Loa (eye worm) hypothetical protein 0.0049 0.1352 0.1547
Loa Loa (eye worm) hypothetical protein 0.003 0.0669 0.0766
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0058 0.0257
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.165 0.6823
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0825 0.3655
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Entamoeba histolytica hypothetical protein 0.0043 0.1142 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.114 0.5053
Echinococcus multilocularis serine protein kinase ATM 0.003 0.0653 0.2893
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.8736 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0388 0.1718
Brugia malayi hypothetical protein 0.0043 0.1142 0.1298
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0012 0.001 0.0042
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0388 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.114 0.5053
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0356 0.5255
Schistosoma mansoni zinc finger protein 0.0018 0.0234 0.0932
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0022 0.0356 0.2812
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0012 0.001 0.0042
Trichomonas vaginalis set domain proteins, putative 0.0287 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0356 0.0397
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0022 0.0356 0.1441
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0388 0.5377
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0022 0.0356 0.2812
Brugia malayi Pre-SET motif family protein 0.0252 0.8736 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0669 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.165 0.7312
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0074 0.2257 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0388 0.0444
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0901 0.3706
Schistosoma mansoni hypothetical protein 0.0018 0.0234 0.0932
Entamoeba histolytica hypothetical protein 0.003 0.0653 0.568
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0388 0.5736
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.003 0.0653 0.9756
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0022 0.0356 0.5255
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347
Entamoeba histolytica hypothetical protein 0.0043 0.1142 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0356 0.0347

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 1.1917 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 12.9953 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) 18.526 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) = 44.6684 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) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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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