Detailed information for compound 1439340

Basic information

Technical information
  • TDR Targets ID: 1439340
  • Name: SMR000037832
  • MW: 490.574 | Formula: C26H26N4O4S
  • H donors: 1 H acceptors: 3 LogP: 3.28 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1ccco1)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccc(cc1)C
  • InChi: 1S/C26H26N4O4S/c1-16-6-8-18(9-7-16)30-24(32)20-11-17-14-34-26(2,3)12-21(17)28-23(20)29-25(30)35-15-22(31)27-13-19-5-4-10-33-19/h4-11H,12-15H2,1-3H3,(H,27,31)
  • InChiKey: AWFIBRMBMOMBSJ-UHFFFAOYSA-N  

Network

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Synonyms

  • ZINC01307568
  • MLS000039322
  • STOCK3S-18412

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens ATM serine/threonine kinase Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana phosphatidylinositol 3-kinase-like protein 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
Toxoplasma gondii exonuclease III APE 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans 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
Trichomonas vaginalis ap endonuclease, putative 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
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Phosphatidylinositol 3- and 4-kinase family 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
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein 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
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K04728 ataxia telangectasia mutated family protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni ataxia telangiectasia mutated (atm) Get druggable targets OG5_128955 All targets in OG5_128955
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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 mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing 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
Echinococcus multilocularis serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni ap endonuclease 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
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, 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
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Toxoplasma gondii FATC domain-containing protein Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum 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
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense phosphatidylinositol kinase domain protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis ap endonuclease, putative 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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Leishmania infantum 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
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium ulcerans 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
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638

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 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.004 0.4173 0.4173
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5167 0.5167
Giardia lamblia Pyruvate kinase 0.004 0.4173 0.8032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Loa Loa (eye worm) pyruvate kinase 0.004 0.4173 0.4173
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0022 0.1275 0.1172
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.003 0.2557 0.2557
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1412 0.2733
Entamoeba histolytica hypothetical protein 0.003 0.2557 0.3293
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0014 0.0117 0.0117
Echinococcus multilocularis dna polymerase eta 0.0077 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0022 0.1275 0.1275
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.1275 0.0205
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.5167 0.5461
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.1275 0.1275
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.5167 0.511
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.2557 0.2469
Echinococcus granulosus serine protein kinase ATM 0.003 0.2557 0.1644
Plasmodium falciparum pyruvate kinase 2 0.0021 0.1092 0.2405
Echinococcus multilocularis pyruvate kinase 0.0032 0.2839 0.1961
Trypanosoma brucei chrX additional, unordered contigs 0.0014 0.0117 0.0117
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0047 0.5167 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.1275 0.1172
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.1412 0.0359
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.5167 0.511
Echinococcus multilocularis pyruvate kinase 0.004 0.4173 0.3458
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5167 0.5167
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.4173 0.8076
Trypanosoma cruzi target of rapamycin kinase 3 0.0022 0.1275 0.1172
Plasmodium vivax pyruvate kinase 2, putative 0.0021 0.1092 0.2405
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.4173 0.4104
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.5167 0.5461
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5167 0.5167
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Plasmodium falciparum pyruvate kinase 0.004 0.4173 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.9364 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0014 0.0117 0.0125
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.1897 0.1801
Leishmania major phosphatidylinositol kinase related protein, putative 0.0022 0.1282 0.1179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Schistosoma mansoni ap endonuclease 0.0023 0.1412 0.1311
Echinococcus multilocularis serine protein kinase ATM 0.003 0.2557 0.1644
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.1275 0.1275
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.5167 0.511
Echinococcus granulosus pyruvate kinase 0.004 0.4173 0.3458
Echinococcus granulosus dna polymerase eta 0.0077 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0022 0.1275 0.1172
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.2258 0.2258
Leishmania major DNA polymerase eta, putative 0.0077 1 1
Toxoplasma gondii exonuclease III APE 0.0023 0.1412 0.1508
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.9364 0.9357
Giardia lamblia GTOR 0.0022 0.1275 0.2294
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.4173 0.4173
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.2894 0.2894
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.9364 0.9357
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.003 0.2557 0.2469
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0045 0.495 0.5286
Schistosoma mansoni terminal deoxycytidyl transferase 0.0047 0.5167 0.511
Chlamydia trachomatis pyruvate kinase 0.004 0.4173 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0022 0.1275 0.1275
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.4173 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0117 0.0117
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.1412 0.0352
Loa Loa (eye worm) pyruvate kinase 0.004 0.4173 0.4173
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.1275 0.0205
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Schistosoma mansoni pyruvate kinase 0.004 0.4173 0.4104
Trypanosoma brucei DNA polymerase eta, putative 0.0077 1 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0022 0.1275 0.1275
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.4173 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.1897 0.1897
Toxoplasma gondii FATC domain-containing protein 0.003 0.2557 0.273
Loa Loa (eye worm) hypothetical protein 0.0077 1 1
Entamoeba histolytica pyruvate kinase, putative 0.0028 0.2258 0.2525
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Mycobacterium tuberculosis Conserved hypothetical protein 0.0047 0.5167 0.4722
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0047 0.5167 0.511
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5167 0.5167
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.9364 0.9286
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.1275 0.1172
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.5167 0.511
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5167 0.5167
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.5167 0.5167
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.1412 0.1412
Toxoplasma gondii target of rapamycin (TOR), putative 0.0022 0.1275 0.1362
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1412 0.3193
Toxoplasma gondii pyruvate kinase PyKII 0.0021 0.1092 0.1166
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.9364 0.9357
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0022 0.1275 0.1275
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.1275 0.1172
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.9364 1
Giardia lamblia DINP protein human, muc B family 0.0047 0.5167 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.4173 0.4104
Trypanosoma brucei unspecified product 0.0032 0.2894 0.2894
Trypanosoma brucei unspecified product 0.0032 0.2894 0.2894
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1412 0.2733
Echinococcus multilocularis pyruvate kinase 0.004 0.4173 0.3458
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0022 0.1275 0.1172
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.003 0.2557 0.2469
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.4173 0.8076
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.1412 0.1311
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.5167 0.5167
Schistosoma mansoni ap endonuclease 0.0023 0.1412 0.1311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.1412 0.1311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Trypanosoma brucei DNA damage repair protein, putative 0.0014 0.0117 0.0117
Leishmania major phosphatidylinositol 3-kinase, putative 0.0022 0.1275 0.1172
Trypanosoma brucei pyruvate kinase 1 0.004 0.4173 0.4173
Loa Loa (eye worm) hypothetical protein 0.0028 0.2258 0.2258
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.4173 0.4104
Schistosoma mansoni DNA polymerase eta 0.0077 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.495 0.489
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.1412 0.1311
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0022 0.1275 0.1172
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.4173 0.4104
Echinococcus granulosus pyruvate kinase 0.004 0.4173 0.3458
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.1282 0.1179
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.1412 0.1401
Schistosoma mansoni pyruvate kinase 0.0021 0.1092 0.0987
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.1275 0.1172
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.4173 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.9364 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0047 0.5167 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0047 0.5167 0.5167
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0014 0.0117 0.0125
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0047 0.5167 0.511
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.1275 0.1172
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.1412 0.1412
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0117 0.0117
Leishmania major pyruvate kinase 0.004 0.4173 0.4104
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.4173 0.3472
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.9364 1
Echinococcus granulosus dna polymerase kappa 0.0047 0.5167 0.4574
Loa Loa (eye worm) pyruvate kinase 0.004 0.4173 0.4173
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5167 0.5167
Trypanosoma brucei hypothetical protein, conserved 0.0014 0.0117 0.0117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Schistosoma mansoni pyruvate kinase 0.004 0.4173 0.4104
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0022 0.1275 0.0205
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.2894 0.2894
Mycobacterium ulcerans pyruvate kinase 0.004 0.4173 0.4386
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.5167 0.511
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0022 0.1275 0.1172
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5167 0.5167
Trichomonas vaginalis DNA polymerase eta, putative 0.0047 0.5167 1
Echinococcus multilocularis dna polymerase kappa 0.0047 0.5167 0.4574
Plasmodium vivax pyruvate kinase, putative 0.004 0.4173 1
Trypanosoma brucei DNA damage repair protein, putative 0.0014 0.0117 0.0117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0022 0.1275 0.0205
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0047 0.5167 0.4722
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.1412 0.5
Trypanosoma brucei unspecified product 0.0047 0.5167 0.5167
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0022 0.1275 0.1275
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0047 0.5167 0.4574
Loa Loa (eye worm) hypothetical protein 0.0014 0.0117 0.0117
Leishmania major DNA polymerase eta, putative 0.0045 0.495 0.489
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.9364 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.1412 0.2565
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.4173 0.4456
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1412 0.3193
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0047 0.5167 0.4574
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.5167 0.5167
Leishmania major DNA polymerase kappa, putative 0.0047 0.5167 0.511
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Leishmania major pyruvate kinase 0.004 0.4173 0.4104
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.1412 0.0359
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0022 0.1275 0.1172
Giardia lamblia Pyruvate kinase 0.0021 0.1092 0.1932
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.1412 0.1311
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5167 0.5167
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.2894 0.2894
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.4173 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5167 0.5167
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.1275 0.2468
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5167 0.5167
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.2557 0.4948
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.9364 0.9286
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.1412 0.5
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0022 0.1275 0.1172

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1585 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.7943 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) 9.285 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 50.1187 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) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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