Detailed information for compound 941814

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 407.489 | Formula: C21H21N5O2S
  • H donors: 1 H acceptors: 4 LogP: 2.28 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H]1Cn2ncc(c2CN1c1ccnc2c1cc[nH]2)c1ccc(cc1)S(=O)(=O)C
  • InChi: 1S/C21H21N5O2S/c1-14-12-26-20(13-25(14)19-8-10-23-21-17(19)7-9-22-21)18(11-24-26)15-3-5-16(6-4-15)29(2,27)28/h3-11,14H,12-13H2,1-2H3,(H,22,23)/t14-/m1/s1
  • InChiKey: UFZMEAYSFGBIBJ-CQSZACIVSA-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 potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References
Homo sapiens ATM serine/threonine kinase Starlite/ChEMBL References
Homo sapiens ATR serine/threonine kinase Starlite/ChEMBL References
Homo sapiens checkpoint kinase 1 Starlite/ChEMBL References
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL References
Homo sapiens protein kinase, DNA-activated, catalytic polypeptide Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K06640 ataxia telangiectasia and Rad3 related, putative Get druggable targets OG5_128386 All targets in OG5_128386
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase Get druggable targets OG5_128386 All targets in OG5_128386
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128386 All targets in OG5_128386
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase Get druggable targets OG5_130454 All targets in OG5_130454
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_130454 All targets in OG5_130454
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans potential phosphatidylinositol kinase similar to S. cerevisiae MEC1 (YBR136W) involved in DNA repair and recombination Get druggable targets OG5_128386 All targets in OG5_128386
Cryptosporidium hominis ataxia telangiectasia and Rad3-related protein Get druggable targets OG5_128386 All targets in OG5_128386
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128386 All targets in OG5_128386
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128386 All targets in OG5_128386
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family Get druggable targets OG5_128386 All targets in OG5_128386
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum Serine/threonine-protein kinase Chk1, putative Get druggable targets OG5_130454 All targets in OG5_130454
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128386 All targets in OG5_128386
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128386 All targets in OG5_128386
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_130454 All targets in OG5_130454
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
Candida albicans potential phosphatidylinositol kinase similar to S. cerevisiae MEC1 (YBR136W) involved in DNA repair and recombination Get druggable targets OG5_128386 All targets in OG5_128386
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni ataxia telangiectasia mutated (atm) Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_128386 All targets in OG5_128386
Echinococcus granulosus DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128386 All targets in OG5_128386
Leishmania mexicana phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania major phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania mexicana phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K04728 ataxia telangectasia mutated family protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Babesia bovis phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128386 All targets in OG5_128386
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 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
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum Serine/threonine-protein kinase ATR, putative Get druggable targets OG5_128386 All targets in OG5_128386
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128386 All targets in OG5_128386
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Toxoplasma gondii FATC domain-containing protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania infantum phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Cryptosporidium parvum FRP1 like protein involved in DNA repair with a FAT domain and a phosphatidylinositol kinase domain at the C-terminus Get druggable targets OG5_128386 All targets in OG5_128386
Schistosoma japonicum Serine/threonine-protein kinase atr, putative Get druggable targets OG5_128386 All targets in OG5_128386
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase Get druggable targets OG5_128386 All targets in OG5_128386
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Trypanosoma brucei gambiense phosphatidylinositol kinase domain protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase Get druggable targets OG5_128386 All targets in OG5_128386
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128386 All targets in OG5_128386
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128386 All targets in OG5_128386
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
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
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0484 0.156
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.012 0.3106 0.7771
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.264 0.8499
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.012 0.3106 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.2363 0.7607
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0672 0.2165
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.264 0.8499
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0144 0.3933 0.3737
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0583 0.0278
Toxoplasma gondii target of rapamycin (TOR), putative 0.0106 0.264 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0064 0.1226 0.3121
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.2269 0.7305
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0853 0.2747
Loa Loa (eye worm) hypothetical protein 0.0039 0.0385 0.013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.1882 0.6059
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.264 0.8499
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0132 0.0426
Giardia lamblia GTOR 0.012 0.3106 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.2766 0.6854
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.072 0.0733
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.2734 0.8801
Loa Loa (eye worm) hypothetical protein 0.0049 0.0725 0.0742
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.264 0.8499
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0132 0.0426
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0049 0.0725 0.1356
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.012 0.3106 0.9352
Loa Loa (eye worm) hypothetical protein 0.0053 0.0853 0.0973
Toxoplasma gondii FATC domain-containing protein 0.0065 0.1265 0.2306
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0047 0.0672 0.0371
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.2269 0.7305
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.2269 0.7305
Trichomonas vaginalis PIKK family atypical protein kinase 0.012 0.3106 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.2267 0.73
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0084 0.1896 0.5575
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.006 0.1107 0.1786
Trichomonas vaginalis PIKK family atypical protein kinase 0.0084 0.1896 0.6106
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0202 0.5865 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0065 0.1265 0.1715
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.012 0.3106 0.2883
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0583 0.0278
Schistosoma mansoni serine/threonine protein kinase 0.0202 0.5865 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0065 0.1265 0.3266
Loa Loa (eye worm) phosphatidylinositol 3 0.012 0.3106 0.503
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0097 0.2331 0.6839
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.2267 0.73
Trichomonas vaginalis PIKK family atypical protein kinase 0.0084 0.1896 0.6106
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.2734 0.8801
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0047 0.0672 0.0371
Leishmania major phosphatidylinositol 3-kinase, putative 0.0084 0.1896 0.543
Entamoeba histolytica hypothetical protein 0.0065 0.1265 0.2436
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0325 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.1416 0.4558
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0097 0.2331 0.7165
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.012 0.3106 1
Leishmania major hypothetical protein, conserved 0.0126 0.3306 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.1509 0.486
Brugia malayi Protein kinase domain containing protein 0.0202 0.5865 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.1265 0.4074
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0144 0.3933 0.652
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.2267 0.73
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0065 0.1265 0.2811
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0583 0.0486
Trichomonas vaginalis PIKK family atypical protein kinase 0.0084 0.1896 0.6106
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.012 0.3106 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0097 0.2331 0.3634
Loa Loa (eye worm) hypothetical protein 0.0047 0.0672 0.0647
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.012 0.3106 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.2734 0.8801
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.1416 0.4558
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0313 0.1008
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0583 0.0486
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.2734 0.8801
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0109 0.2735 0.8643
Trypanosoma cruzi target of rapamycin kinase 3 0.0109 0.2735 0.6772
Trichomonas vaginalis PIKK family atypical protein kinase 0.0078 0.169 0.5442
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.264 0.8499
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.2363 0.7607
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0109 0.2735 0.8149
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.2734 0.8801
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.072 0.0733
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.264 0.8499
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.012 0.3106 0.503
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0047 0.0672 0.0647
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0047 0.0672 0.1213
Trichomonas vaginalis PIKK family atypical protein kinase 0.012 0.3106 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0084 0.1896 0.6106
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.1107 0.3564
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0484 0.156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.264 0.8499
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.012 0.3106 0.2883
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0144 0.3933 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0065 0.1265 0.1715
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.012 0.3106 0.7771
Echinococcus multilocularis serine protein kinase ATM 0.0065 0.1265 0.0983
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0144 0.3933 0.3737
Trichomonas vaginalis PIKK family atypical protein kinase 0.012 0.3106 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0097 0.2331 0.7505
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.012 0.3106 0.9352
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.012 0.3106 0.503
Echinococcus granulosus serine protein kinase ATM 0.0065 0.1265 0.0983
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0144 0.3933 0.652
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0144 0.3933 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0069 0.1416 0.4558
Schistosoma mansoni fkbp-rapamycin associated protein 0.0047 0.0672 0.0647
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.2269 0.7305

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0003 uM Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay ChEMBL. 25589927
IC50 (binding) = 0.08 uM Inhibition of CHK1 in HeLa S3 cells assessed as inhibition of phosphorylation at ser345 by AlphaScreen SureFire CHK1 (p-Ser345) assay ChEMBL. 25589927
IC50 (binding) = 0.13 uM Inhibition of ATM (unknown origin) using p53-Q10-K17 peptide substrate by alphascreen assay ChEMBL. 25589927
IC50 (binding) = 0.14 uM Inhibition of DNA-PK (unknown origin) using GGGGMEEPQSDPSVEPPLSQETFSDLWKLLPE peptide substrate by alphascreen assay ChEMBL. 25589927
IC50 (binding) = 1.1 uM Inhibition of mTOR (unknown origin) by alphascreen SureFire p70 S6K (p-Thr389) assay ChEMBL. 25589927
IC50 (binding) = 1.5 uM Inhibition of human ERG by automated whole cell electrophysiology ChEMBL. 25589927

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

1 literature reference was collected for this gene.

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