Detailed information for compound 1608365

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 351.152 | Formula: C14H11BrN2O4
  • H donors: 1 H acceptors: 1 LogP: 3.07 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(o1)/C=N\NC(=O)C1COc2c(O1)cccc2
  • InChi: 1S/C14H11BrN2O4/c15-13-6-5-9(20-13)7-16-17-14(18)12-8-19-10-3-1-2-4-11(10)21-12/h1-7,12H,8H2,(H,17,18)/b16-7-
  • InChiKey: JDXIZYHPMLDQPR-APSNUPSMSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica exodeoxyribonuclease III, putative 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
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei 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
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni ap endonuclease 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium knowlesi 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
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein 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
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
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 CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum hypothetical protein 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox 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
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
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
Echinococcus multilocularis Smad4 0.0036 0.0012 0.0016
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0087 0.0086
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0087 0.0123
Schistosoma mansoni microtubule-associated protein tau 0.3768 0.6865 0.6865
Trichomonas vaginalis CAMK family protein kinase 0.0134 0.0193 0.6039
Entamoeba histolytica hypothetical protein 0.0155 0.0232 0.7367
Loa Loa (eye worm) hypothetical protein 0.0109 0.0147 0.0147
Trichomonas vaginalis CAMK family protein kinase 0.0134 0.0193 0.6039
Trypanosoma brucei polo-like protein kinase 0.0134 0.0193 0.0613
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0042 0.0023 0.039
Schistosoma mansoni hypothetical protein 0.0037 0.0015 0.0014
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0087 0.0088
Brugia malayi MH2 domain containing protein 0.0036 0.0012 0.0011
Trichomonas vaginalis CAMK family protein kinase 0.0134 0.0193 0.6039
Loa Loa (eye worm) hypothetical protein 0.0042 0.0023 0.0023
Entamoeba histolytica hypothetical protein 0.0155 0.0232 0.7367
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0087 0.0086
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0037 0.0015 0.0014
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0001 0.0001
Schistosoma mansoni serine/threonine protein kinase 0.1633 0.2946 0.2945
Brugia malayi hypothetical protein 0.1613 0.2909 0.2908
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0087 0.0088
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0197 0.0309 0.0309
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0134 0.0193 0.5167
Echinococcus multilocularis microtubule associated protein 2 0.3768 0.6865 0.9755
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.1613 0.2909 0.2919
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0142 0.4316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.0044 0.0976
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0235 0.7477
Schistosoma mansoni smad1 5 8 and 0.0036 0.0012 0.0011
Echinococcus granulosus Smad4 0.0036 0.0012 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0163 0.5037
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1613 0.2909 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1633 0.2946 0.4185
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0235 0.7477
Loa Loa (eye worm) hypothetical protein 0.0054 0.0047 0.0047
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0197 0.0309 0.0438
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0197 0.0309 1
Schistosoma mansoni cellular tumor antigen P53 0.0109 0.0147 0.0146
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.1633 0.2946 0.4185
Loa Loa (eye worm) MH2 domain-containing protein 0.0036 0.0012 0.0012
Brugia malayi Smad1 0.0036 0.0012 0.0011
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0036 0.0012 0.0016
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.1613 0.2909 0.2908
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0197 0.0309 0.0308
Trypanosoma cruzi polo-like protein kinase, putative 0.0134 0.0193 0.0613
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.1633 0.2946 0.2956
Trichomonas vaginalis PIKK family atypical protein kinase 0.0147 0.0216 0.684
Schistosoma mansoni transcription factor LCR-F1 0.0155 0.0232 0.0231
Loa Loa (eye worm) hypothetical protein 0.0029 0.0001 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0147 0.0216 0.684
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0197 0.0309 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0068 0.1803
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.1633 0.2946 0.2957
Onchocerca volvulus 0.0109 0.0147 0.0501
Loa Loa (eye worm) MH2 domain-containing protein 0.0522 0.0905 0.0908
Schistosoma mansoni rap gtpase-activating protein 0.1613 0.2909 0.2908
Loa Loa (eye worm) hypothetical protein 0.1613 0.2909 0.292
Trichomonas vaginalis PIKK family atypical protein kinase 0.0128 0.0182 0.5673
Trichomonas vaginalis PIKK family atypical protein kinase 0.0117 0.0161 0.4963
Loa Loa (eye worm) phosphatidylinositol 3 0.0197 0.0309 0.031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0142 0.4327
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0087 0.0086
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0036 0.0012 0.0011
Trichomonas vaginalis CAMK family protein kinase 0.0076 0.0087 0.2435
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0197 0.0309 0.1015
Loa Loa (eye worm) phosphatidylinositol 3 0.0066 0.0068 0.0069
Brugia malayi TAR-binding protein 0.0076 0.0087 0.0086
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0197 0.0309 0.1015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0117 0.0161 0.4963
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0047 0.0046
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0142 0.4316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0235 0.7477
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0142 0.4327
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0093 0.0118 0.0355
Trichomonas vaginalis CAMK family protein kinase 0.0076 0.0087 0.2435
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0023 0.0266
Brugia malayi RNA binding protein 0.0076 0.0087 0.0086
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0068 0.1803
Schistosoma mansoni protein kinase 0.5475 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0197 0.0309 1
Schistosoma mansoni hypothetical protein 0.1613 0.2909 0.2908
Echinococcus granulosus mothers against decapentaplegic 5 0.0036 0.0012 0.0011
Brugia malayi serine/threonine-protein kinase plk-2 0.0134 0.0193 0.0192
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0047 0.0046
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0037 0.0015 0.0014
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0197 0.0309 0.1015
Echinococcus multilocularis 0.3862 0.7038 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0142 0.4327
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0001 0.0001
Schistosoma mansoni protein kinase 0.3862 0.7038 0.7038
Entamoeba histolytica serine/threonine protein kinase, putative 0.0134 0.0193 0.6039
Loa Loa (eye worm) transcription factor SMAD2 0.0522 0.0905 0.0908
Trichomonas vaginalis CAMK family protein kinase 0.0134 0.0193 0.6039
Schistosoma mansoni smad1 5 8 and 0.0036 0.0012 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0147 0.0216 0.684
Echinococcus granulosus microtubule associated protein 2 0.3768 0.6865 0.6891
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1633 0.2946 0.2956
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0066 0.0068 0.0183
Trichomonas vaginalis PIKK family atypical protein kinase 0.0197 0.0309 1
Loa Loa (eye worm) hypothetical protein 0.5455 0.9963 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0037 0.0015 0.0015
Echinococcus granulosus tumor protein p63 0.0743 0.1311 0.1315
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0142 0.4327
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0066 0.0068 0.0183
Brugia malayi MH2 domain containing protein 0.0036 0.0012 0.0011
Loa Loa (eye worm) hypothetical protein 0.0037 0.0015 0.0015
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0197 0.0309 0.1015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.019 0.594
Schistosoma mansoni fkbp-rapamycin associated protein 0.0037 0.0015 0.0014
Trypanosoma cruzi polo-like protein kinase, putative 0.0134 0.0193 0.0613
Loa Loa (eye worm) Smad1 0.0036 0.0012 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0147 0.0216 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0235 0.7477
Trichomonas vaginalis PIKK family atypical protein kinase 0.0147 0.0216 0.684
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0197 0.0309 1
Schistosoma mansoni smad 0.0036 0.0012 0.0011
Schistosoma mansoni serine/threonine protein kinase 0.1633 0.2946 0.2945
Schistosoma mansoni smad1 5 8 and 0.0036 0.0012 0.0011
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.1613 0.2909 0.2908
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0087 0.0086
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0066 0.0068 0.0183
Trichomonas vaginalis PIKK family atypical protein kinase 0.0147 0.0216 0.684
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0087 0.0086
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0066 0.0068 0.0067
Brugia malayi MH1 domain containing protein 0.0036 0.0012 0.0011
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0066 0.0068 0.0183
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.1613 0.2909 0.4132
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0068 0.1803
Echinococcus multilocularis tumor protein p63 0.0743 0.1311 0.1862
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0066 0.0068 0.0096
Trichomonas vaginalis CAMK family protein kinase 0.0134 0.0193 0.6039
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1613 0.2909 1
Brugia malayi MH1 domain containing protein 0.0036 0.0012 0.0011
Echinococcus granulosus serine:threonine protein kinase mig 15 0.5455 0.9963 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0066 0.0068 0.0067
Onchocerca volvulus Serine\/threonine kinase homolog 0.0134 0.0193 0.0659
Echinococcus granulosus Vam6:Vps39 protein 0.1613 0.2909 0.2919
Loa Loa (eye worm) hypothetical protein 0.1613 0.2909 0.292
Toxoplasma gondii target of rapamycin (TOR), putative 0.0147 0.0216 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.0087 0.0087
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0047 0.0047
Echinococcus granulosus smad 0.0036 0.0012 0.0011
Echinococcus multilocularis smad 0.0036 0.0012 0.0016
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0197 0.0309 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0068 0.1803
Brugia malayi Protein kinase domain containing protein 0.1633 0.2946 0.2945
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0015 0.0014
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0082 0.0097 0.0283
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0068 0.1803
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.3862 0.7038 0.7064
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0157 0.0235 0.6934
Schistosoma mansoni Smad4 0.0036 0.0012 0.0011
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0157 0.0235 0.076
Trichomonas vaginalis PIKK family atypical protein kinase 0.0168 0.0256 0.8197
Echinococcus granulosus TGF beta signal transducer SmadC 0.0036 0.0012 0.0011
Entamoeba histolytica hypothetical protein 0.0155 0.0232 0.7367
Trypanosoma cruzi target of rapamycin kinase 3 0.0157 0.0235 0.076
Schistosoma mansoni protein kinase 0.1633 0.2946 0.2945
Entamoeba histolytica hypothetical protein 0.0155 0.0232 0.7367
Schistosoma mansoni serine/threonine protein kinase 0.0134 0.0193 0.0192
Giardia lamblia GTOR 0.0197 0.0309 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0163 0.5037
Trichomonas vaginalis CAMK family protein kinase 0.0134 0.0193 0.6039
Schistosoma mansoni kinase 0.0078 0.009 0.0089
Schistosoma mansoni vam6/vps39 related 0.1613 0.2909 0.2908
Brugia malayi hypothetical protein 0.0155 0.0232 0.0231
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0134 0.0193 0.0193
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1613 0.2909 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0147 0.0216 0.684
Onchocerca volvulus 0.1613 0.2909 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0235 0.7477
Echinococcus multilocularis mothers against decapentaplegic 5 0.0036 0.0012 0.0016
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0134 0.0193 0.0272
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1633 0.2946 0.4185
Trichomonas vaginalis PIKK family atypical protein kinase 0.0197 0.0309 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0087 0.0086
Brugia malayi MH2 domain containing protein 0.0522 0.0905 0.0904
Loa Loa (eye worm) MH1 domain-containing protein 0.0036 0.0012 0.0012
Loa Loa (eye worm) RNA binding protein 0.0076 0.0087 0.0088
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0142 0.4316
Echinococcus granulosus serine protein kinase ATM 0.0037 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.004 0.0021 0.0021
Echinococcus granulosus protein kinase 0.3862 0.7038 0.7064
Loa Loa (eye worm) hypothetical protein 0.0037 0.0015 0.0015
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0197 0.0309 0.0308
Brugia malayi Temporarily assigned gene name protein 59 0.1613 0.2909 0.2908
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0155 0.0232 0.0328
Trichomonas vaginalis CAMK family protein kinase 0.0134 0.0193 0.6039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0163 0.5037
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0037 0.0015 0.0021
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0155 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.1613 0.2909 0.292
Echinococcus multilocularis serine protein kinase ATM 0.0037 0.0015 0.0021
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0066 0.0068 0.0068
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0134 0.0193 0.0192
Schistosoma mansoni hypothetical protein 0.0155 0.0232 0.0231
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0037 0.0015 0.0014
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1633 0.2946 0.2956

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 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) 16.8336 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) = 35.4813 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 44.6684 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
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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