Detailed information for compound 1313425

Basic information

Technical information
  • TDR Targets ID: 1313425
  • Name: 7-methyl-1-[2-(4-methylphenoxy)ethyl]indole-2 ,3-dione
  • MW: 295.332 | Formula: C18H17NO3
  • H donors: 0 H acceptors: 2 LogP: 3.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)OCCN1C(=O)C(=O)c2c1c(C)ccc2
  • InChi: 1S/C18H17NO3/c1-12-6-8-14(9-7-12)22-11-10-19-16-13(2)4-3-5-15(16)17(20)18(19)21/h3-9H,10-11H2,1-2H3
  • InChiKey: MHAVZQRYTFLHMU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-methyl-1-[2-(4-methylphenoxy)ethyl]indoline-2,3-dione
  • 7-methyl-1-[2-(4-methylphenoxy)ethyl]isatin
  • T5446844
  • ZINC02706824
  • MLS000707903
  • SMR000288970
  • 7-Methyl-1-(2-p-tolyloxy-ethyl)-1H-indole-2,3-dione
  • BAS 07250017

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens snurportin 1 No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein 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 mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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 cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
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
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
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 exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense apurinic/apyrimidinic 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0189 0.1724 0.1724
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0096 0.0758 0.0758
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.4885 0.4885
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0987 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0096 0.0758 0.0758
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0525 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0534 0.5305 0.5305
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0527 0.0527
Trichomonas vaginalis PIKK family atypical protein kinase 0.0591 0.5892 0.5892
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0787 0.792 0.792
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0066 0.0453 0.0453
Plasmodium falciparum glycogen synthase kinase 3 0.0048 0.0259 0.4686
Loa Loa (eye worm) hypothetical protein 0.0189 0.1724 0.1724
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0066 0.0453 0.0453
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0245 0.2306 0.2306
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0987 1 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0076 0.0553 0.0553
Trichomonas vaginalis PIKK family atypical protein kinase 0.0123 0.1036 0.1036
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0126 0.1072 0.1072
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0066 0.0453 0.0453
Echinococcus multilocularis cpg binding protein 0.0037 0.0145 0.0145
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0066 0.0453 0.0453
Loa Loa (eye worm) phosphatidylinositol 3 0.0987 1 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0124 0.0124
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0126 0.0126
Entamoeba histolytica protein kinase rad3, putative 0.0189 0.1724 0.1724
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0066 0.0453 0.0453
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0066 0.0453 0.0453
Trypanosoma cruzi target of rapamycin kinase 3 0.0787 0.792 0.792
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0066 0.0453 0.8179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0735 0.7385 0.7385
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0076 0.0553 0.0553
Schistosoma mansoni hypothetical protein 0.0066 0.0453 0.0453
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0066 0.0453 0.8179
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.016 0.1424 0.1424
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0066 0.0453 0.8179
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0066 0.0453 0.0453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0189 0.1724 0.1724
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0057 0.0057
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0525 0.0525
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0987 1 1
Trichomonas vaginalis conserved hypothetical protein 0.021 0.1945 0.1945
Onchocerca volvulus 0.0066 0.0453 1
Leishmania major phosphatidylinositol 4-kinase, putative 0.0066 0.0453 0.0453
Onchocerca volvulus 0.0066 0.0453 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0333 0.3217 0.3217
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0076 0.0553 0.0749
Loa Loa (eye worm) hypothetical protein 0.0034 0.0117 0.0117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0987 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0096 0.0758 0.0758
Plasmodium falciparum importin beta, putative 0.0035 0.0126 0.2268
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0333 0.3217 0.3217
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0076 0.0553 0.0553
Echinococcus granulosus dnaJ subfamily B 0.0494 0.4885 0.4885
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0525 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0525 1
Onchocerca volvulus 0.0048 0.0259 0.4118
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0096 0.0758 0.0758
Echinococcus granulosus protein kinase shaggy 0.0048 0.0259 0.0259
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0333 0.3217 0.3217
Trichomonas vaginalis PIKK family atypical protein kinase 0.0987 1 1
Echinococcus multilocularis serine protein kinase ATM 0.0189 0.1724 0.1724
Entamoeba histolytica hypothetical protein 0.014 0.122 0.122
Entamoeba histolytica hypothetical protein 0.0066 0.0453 0.0453
Toxoplasma gondii FATC domain-containing protein 0.0189 0.1724 0.2335
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0048 0.0259 0.0259
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.016 0.1424 0.1424
Trichomonas vaginalis PIKK family atypical protein kinase 0.0333 0.3217 0.3217
Leishmania major importin beta-1 subunit, putative 0.0028 0.0057 0.0057
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0066 0.0453 0.0453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0585 0.5832 0.5832
Loa Loa (eye worm) phosphatidylinositol 3 0.0333 0.3217 0.3217
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0096 0.0758 0.0758
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0245 0.2306 0.2306
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0525 0.0525
Brugia malayi FAT domain containing protein 0.0144 0.1257 0.1257
Echinococcus multilocularis Zinc finger, PHD finger 0.0076 0.0553 0.0553
Leishmania major phosphatidylinositol kinase related protein, putative 0.0066 0.0453 0.0453
Entamoeba histolytica hypothetical protein 0.0066 0.0453 0.0453
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0076 0.0553 0.0553
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0076 0.0553 0.0553
Trichomonas vaginalis PIKK family atypical protein kinase 0.0843 0.8508 0.8508
Trichomonas vaginalis PIKK family atypical protein kinase 0.0333 0.3217 0.3217
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0096 0.0758 0.0758
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0094 0.0736 0.0736
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0987 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0189 0.1724 0.1724
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0076 0.0553 0.0749
Trichomonas vaginalis PIKK family atypical protein kinase 0.0786 0.7912 0.7912
Leishmania major hypothetical protein, conserved 0.0066 0.0453 0.0453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0735 0.7385 0.7385
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.016 0.1424 0.1424
Trichomonas vaginalis PIKK family atypical protein kinase 0.0534 0.5305 0.5305
Trichomonas vaginalis PIKK family atypical protein kinase 0.0267 0.2533 0.2533
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0066 0.0453 0.0453
Trypanosoma brucei protein kinase, putative 0.0048 0.0259 0.0259
Trichomonas vaginalis PIKK family atypical protein kinase 0.0735 0.7385 0.7385
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0987 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0534 0.5305 0.5305
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.016 0.1424 0.1424
Echinococcus granulosus serine protein kinase ATM 0.0189 0.1724 0.1724
Schistosoma mansoni importin beta-1 0.0035 0.0126 0.0126
Giardia lamblia Kinase, CMGC GSK 0.0048 0.0259 0.0259
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0066 0.0453 0.0453
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.011 0.0906 0.0906
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0144 0.1257 0.1257
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0259 0.0259
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0066 0.0453 0.0453
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0144 0.1257 0.1257
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0189 0.1724 0.1724
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0076 0.0553 0.0553
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0189 0.1724 0.1724
Trichomonas vaginalis PIKK family atypical protein kinase 0.0591 0.5892 0.5892
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.016 0.1424 0.1424
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.014 0.122 0.122
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0066 0.0453 0.0613
Trichomonas vaginalis PIKK family atypical protein kinase 0.0534 0.5297 0.5297
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0066 0.0453 0.8179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0585 0.5832 0.5832
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0066 0.0453 0.0453
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0446 0.0604
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0096 0.0758 0.0758
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0048 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.021 0.1945 0.1945
Trichomonas vaginalis PIKK family atypical protein kinase 0.0333 0.3217 0.3217
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0259 0.0259
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0468 0.4621 0.4621
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0333 0.3217 0.3217
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0123 0.1036 0.1036
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0066 0.0453 0.0613
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0076 0.0553 0.0553
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0048 0.0259 0.0259
Plasmodium vivax glycogen synthase kinase 3, putative 0.0048 0.0259 0.4686
Plasmodium vivax importin-beta 2, putative 0.0035 0.0126 0.2268
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0189 0.1724 0.1724
Echinococcus multilocularis 0.0066 0.0453 0.0453
Entamoeba histolytica hypothetical protein 0.0189 0.1724 0.1724
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0066 0.0453 0.0453
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.3618 0.3618
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0048 0.0259 0.0259
Loa Loa (eye worm) phosphatidylinositol 3 0.0225 0.2102 0.2102
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0987 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0735 0.7385 0.7385
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0076 0.0553 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0076 0.0553 0.0553
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0076 0.0553 0.0553
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0066 0.0453 0.0453
Toxoplasma gondii target of rapamycin (TOR), putative 0.0735 0.7385 1
Mycobacterium leprae conserved hypothetical protein 0.0066 0.0453 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0453 0.0453
Schistosoma mansoni cpg binding protein 0.0035 0.0124 0.0124
Trichomonas vaginalis PIKK family atypical protein kinase 0.0735 0.7385 0.7385
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0333 0.3217 0.3217
Trichomonas vaginalis PIKK family atypical protein kinase 0.0987 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0048 0.0259 0.0259
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0066 0.0453 0.0453
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0048 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0144 0.1257 0.1257
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0048 0.0259 0.0259
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.016 0.1424 0.1424
Brugia malayi Importin beta-1 subunit 0.0035 0.0126 0.0126
Loa Loa (eye worm) phosphatidylinositol 3 0.0066 0.0453 0.0453
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0987 1 1
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0066 0.0453 0.0453
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0333 0.3217 0.3217
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0525 1
Trichomonas vaginalis conserved hypothetical protein 0.0144 0.1257 0.1257
Mycobacterium tuberculosis Conserved hypothetical protein 0.0066 0.0453 0.8628
Loa Loa (eye worm) phosphatidylinositol kinase 0.0066 0.0453 0.0453
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0189 0.1724 0.1724
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0333 0.3217 0.3217
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0066 0.0453 0.0453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0663 0.664 0.664
Trichomonas vaginalis PIKK family atypical protein kinase 0.0735 0.7385 0.7385
Leishmania major hypothetical protein, unknown function 0.0066 0.0453 0.0453
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0189 0.1724 0.1724
Leishmania major phosphatidylinositol kinase, putative 0.0066 0.0453 0.0453
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0086 0.0657 0.0657
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.016 0.1424 0.1424
Trichomonas vaginalis PIKK family atypical protein kinase 0.0735 0.7385 0.7385
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0189 0.1724 0.1724
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0123 0.1036 0.1036
Echinococcus multilocularis protein kinase shaggy 0.0048 0.0259 0.0259
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0126 0.1072 0.1072
Giardia lamblia Hypothetical protein 0.0066 0.0453 0.0453
Toxoplasma gondii non-specific serine/threonine protein kinase 0.021 0.1945 0.2634
Giardia lamblia Phosphatidylinositol 4-kinase 0.0066 0.0453 0.0453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0534 0.5297 0.5297
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0453 0.0453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0786 0.7912 0.7912
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0066 0.0453 0.0453
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0066 0.0453 0.0453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0534 0.5297 0.5297
Schistosoma mansoni fkbp-rapamycin associated protein 0.0189 0.1724 0.1724
Trichomonas vaginalis PIKK family atypical protein kinase 0.0333 0.3217 0.3217
Echinococcus granulosus cpg binding protein 0.0037 0.0145 0.0145
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0076 0.0553 0.0553
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0333 0.3217 0.3217
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0189 0.1724 0.1724
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.013 0.1111 0.1111
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0066 0.0453 0.0453
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0066 0.0453 0.0613
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0057 0.0057
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0525 0.0525
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0048 0.0259 0.0259
Loa Loa (eye worm) phosphatidylinositol 3 0.0029 0.007 0.007
Trichomonas vaginalis PIKK family atypical protein kinase 0.0333 0.3217 0.3217
Plasmodium vivax hypothetical protein 0.0066 0.0453 0.8179
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0525 0.0525
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0076 0.0553 0.0553
Entamoeba histolytica protein kinase, putative 0.0048 0.0259 0.0259
Trichomonas vaginalis PIKK family atypical protein kinase 0.0642 0.642 0.642
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0066 0.0453 0.0453
Leishmania major phosphatidylinositol 3-kinase, putative 0.0076 0.0553 0.0553
Schistosoma mansoni cpg binding protein 0.0037 0.0145 0.0145
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0987 1 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0987 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0029 0.007 0.007
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0048 0.0259 0.0351
Echinococcus granulosus snurportin 1 0.0372 0.3618 0.3618
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.1036 0.1036
Schistosoma mansoni cpg binding protein 0.0037 0.0145 0.0145
Loa Loa (eye worm) hypothetical protein 0.0126 0.1072 0.1072
Brugia malayi intracellular kinase 0.0048 0.0259 0.0259
Trichomonas vaginalis PIKK family atypical protein kinase 0.0786 0.7912 0.7912
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0076 0.0553 1
Schistosoma mansoni hypothetical protein 0.0494 0.4885 0.4885
Entamoeba histolytica hypothetical protein 0.0028 0.0057 0.0057
Trichomonas vaginalis PIKK family atypical protein kinase 0.0534 0.5305 0.5305
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0096 0.0758 0.0758
Loa Loa (eye worm) hypothetical protein 0.0201 0.1844 0.1844
Loa Loa (eye worm) phosphatidylinositol 3 0.0066 0.0453 0.0453
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0333 0.3217 0.3217
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0126 0.0126
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0085 0.0647 0.0647
Brugia malayi RNA, U transporter 1 0.0099 0.0791 0.0791
Giardia lamblia GTOR 0.0987 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0525 0.0711
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0076 0.0553 0.0553
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0245 0.2306 0.2306
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0525 0.0525
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0066 0.0453 0.0453
Schistosoma mansoni hypothetical protein 0.0144 0.1257 0.1257
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0076 0.0553 0.0553
Loa Loa (eye worm) phosphatidylinositol 3 0.0066 0.0453 0.0453
Loa Loa (eye worm) hypothetical protein 0.0035 0.0126 0.0126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0786 0.7912 0.7912
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0453 0.0453
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0189 0.1724 0.1724
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0066 0.0453 0.0453
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0189 0.1724 0.1724
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0787 0.792 0.792
Echinococcus granulosus importin subunit beta 1 0.0035 0.0126 0.0126
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0076 0.0553 0.0553
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0066 0.0453 0.8179
Loa Loa (eye worm) phosphatidylinositol 3 0.0066 0.0453 0.0453
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0057 0.0057
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0096 0.0758 0.0758
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0987 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0106 0.0867 0.0867
Trichomonas vaginalis PIKK family atypical protein kinase 0.0591 0.5892 0.5892
Echinococcus multilocularis snurportin 1 0.0372 0.3618 0.3618
Entamoeba histolytica hypothetical protein 0.0066 0.0453 0.0453
Entamoeba histolytica protein kinase domain containing protein 0.0048 0.0259 0.0259
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0987 1 1
Plasmodium vivax hypothetical protein, conserved 0.0066 0.0453 0.8179
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0126 0.0126
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.013 0.1111 0.1111
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0057 0.0057
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0412 0.4033 0.4033
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0076 0.0553 0.0553
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0126 0.017
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0126 0.1072 0.1072
Schistosoma mansoni hypothetical protein 0.0372 0.3618 0.3618
Giardia lamblia Kinase, CMGC GSK 0.0048 0.0259 0.0259
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0076 0.0553 0.0553
Trichomonas vaginalis PIKK family atypical protein kinase 0.0786 0.7912 0.7912
Leishmania major phosphatidylinositol 3-kinase, putative 0.0333 0.3217 0.3217

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1995 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) = 8.9125 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. 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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