Detailed information for compound 1434134

Basic information

Technical information
  • TDR Targets ID: 1434134
  • Name: 2-cyano-N-(4-fluorophenyl)-3-[4-(5-nitropyrid in-2-yl)oxyphenyl]prop-2-enamide
  • MW: 404.351 | Formula: C21H13FN4O4
  • H donors: 1 H acceptors: 5 LogP: 4.38 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/C(=C\c1ccc(cc1)Oc1ccc(cn1)[N+](=O)[O-])/C(=O)Nc1ccc(cc1)F
  • InChi: 1S/C21H13FN4O4/c22-16-3-5-17(6-4-16)25-21(27)15(12-23)11-14-1-8-19(9-2-14)30-20-10-7-18(13-24-20)26(28)29/h1-11,13H,(H,25,27)/b15-11+
  • InChiKey: PZBHINIWJWRIFJ-RVDMUPIBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-2-cyano-N-(4-fluorophenyl)-3-[4-(5-nitropyridin-2-yl)oxyphenyl]prop-2-enamide
  • (E)-2-cyano-N-(4-fluorophenyl)-3-[4-[(5-nitro-2-pyridyl)oxy]phenyl]prop-2-enamide
  • 2-cyano-N-(4-fluorophenyl)-3-[4-[(5-nitro-2-pyridyl)oxy]phenyl]prop-2-enamide
  • (E)-2-cyano-N-(4-fluorophenyl)-3-[4-[(5-nitro-2-pyridyl)oxy]phenyl]acrylamide
  • 2-cyano-N-(4-fluorophenyl)-3-[4-[(5-nitro-2-pyridyl)oxy]phenyl]acrylamide
  • STK186033
  • ZINC00786455
  • (E)-2-Cyano-N-(4-fluoro-phenyl)-3-[4-(5-nitro-pyridin-2-yloxy)-phenyl]-acrylamide
  • MLS000587770
  • SMR000211770

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
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 cyclins, putative 0.0043 0.0389 0.0742
Plasmodium vivax protein kinase Crk2 0.0052 0.0507 0.7879
Brugia malayi hypothetical protein 0.003 0.0241 0.0669
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0031 0.0244 0.0084
Echinococcus granulosus cyclins 0.0043 0.0389 0.0387
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0031 0.0244 0.0018
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0159 0.1809 0.466
Trichomonas vaginalis conserved hypothetical protein 0.01 0.1089 0.4337
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0031 0.0244 0.0208
Giardia lamblia Cyclin A 0.0043 0.0389 0.0924
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.007 0.0716 0.0715
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0293 0.0847
Giardia lamblia Kinase, CMGC CDK 0.0052 0.0507 0.168
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0031 0.0244 0.0084
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0133 0.1487 0.3703
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0031 0.0244 0.0208
Loa Loa (eye worm) hypothetical protein 0.0031 0.0244 0.0705
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0445 0.1282
Loa Loa (eye worm) hypothetical protein 0.0043 0.0389 0.1126
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0445 0.1282
Brugia malayi Muscleblind-like protein 0.018 0.2064 0.5724
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0031 0.0244 0.0018
Trypanosoma cruzi cdc2-related kinase 1 0.0052 0.0507 0.079
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0031 0.0244 0.0084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Toxoplasma gondii histone lysine methyltransferase SET1 0.007 0.0722 0.3067
Loa Loa (eye worm) hypothetical protein 0.0043 0.0389 0.1126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0059 0.0591 0.1782
Echinococcus granulosus cyclin B3 1 0.0043 0.0389 0.0387
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0159 0.1809 0.4831
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0031 0.0244 0.0208
Schistosoma mansoni fkbp-rapamycin associated protein 0.009 0.0964 0.093
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0058 0.0578 0.1039
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0133 0.1487 0.6385
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.1999 0.1997
Trichomonas vaginalis cyclins, putative 0.0043 0.0389 0.0742
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Trypanosoma cruzi cyclin 6, putative 0.0043 0.0389 0.0438
Trichomonas vaginalis cyclin B, putative 0.0043 0.0389 0.0742
Loa Loa (eye worm) hypothetical protein 0.0102 0.1114 0.3238
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.009 0.0964 0.2149
Trypanosoma cruzi cdc2-related kinase 3 0.0052 0.0507 0.079
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0497 0.1298
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0159 0.1809 0.1808
Trypanosoma cruzi target of rapamycin kinase 3 0.0159 0.1809 0.466
Echinococcus multilocularis Zinc finger, PHD finger 0.0031 0.0244 0.0242
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0031 0.0244 0.0677
Trichomonas vaginalis cyclins, putative 0.0043 0.0389 0.0742
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0121 0.1347 0.705
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0307 0.3605 0.3604
Onchocerca volvulus 0.0043 0.0389 0.4325
Trichomonas vaginalis PIKK family atypical protein kinase 0.009 0.0964 0.3696
Echinococcus multilocularis cyclins 0.0043 0.0389 0.0387
Echinococcus granulosus cyclin B 0.0043 0.0389 0.0387
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0031 0.0244 0.0008
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0031 0.0244 0.0242
Loa Loa (eye worm) hypothetical protein 0.009 0.0964 0.2801
Trichomonas vaginalis cyclin A, putative 0.0043 0.0389 0.0742
Schistosoma mansoni cpg binding protein 0.0035 0.0293 0.0257
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0307 0.3605 0.3581
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0159 0.1809 0.8036
Trichomonas vaginalis cyclin B, putative 0.0043 0.0389 0.0742
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0497 0.1298
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.1999 0.1969
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1939 0.1938
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0389 0.0742
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0031 0.0244 0.0018
Echinococcus multilocularis muscleblind protein 1 0.018 0.2064 0.2062
Trypanosoma brucei cdc2-related kinase 3 0.0052 0.0507 0.1362
Echinococcus multilocularis cyclin dependent kinase 1 0.0052 0.0507 0.0505
Brugia malayi intracellular kinase 0.0058 0.0578 0.1605
Trichomonas vaginalis cyclins, putative 0.0043 0.0389 0.0742
Schistosoma mansoni hypothetical protein 0.0031 0.0244 0.0208
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0159 0.1809 0.1808
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0052 0.0507 0.1471
Echinococcus granulosus muscleblind protein 0.018 0.2064 0.2062
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0031 0.0244 0.0084
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0159 0.1809 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0254 0.0736
Giardia lamblia Kinase, CMGC GSK 0.0058 0.0578 0.2137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Entamoeba histolytica cyclin family protein 0.0043 0.0389 0.0924
Loa Loa (eye worm) hypothetical protein 0.007 0.0716 0.208
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0031 0.0244 0.0242
Entamoeba histolytica cyclin, putative 0.0043 0.0389 0.0924
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Trypanosoma brucei mitotic cyclin 6 0.0043 0.0389 0.0756
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0031 0.0244 0.0677
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0716 0.2423
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0031 0.0244 0.0677
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0058 0.0578 0.1679
Loa Loa (eye worm) cyclin domain-containing protein 0.0293 0.3437 1
Onchocerca volvulus 0.0058 0.0578 1
Echinococcus multilocularis cyclin B 0.0043 0.0389 0.0387
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0031 0.0244 0.0018
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0031 0.0244 0.0084
Echinococcus multilocularis cyclins 0.0043 0.0389 0.0387
Trichomonas vaginalis cyclin B, putative 0.0043 0.0389 0.0742
Loa Loa (eye worm) phosphatidylinositol 3 0.0191 0.2192 0.6376
Loa Loa (eye worm) hypothetical protein 0.003 0.0241 0.0697
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0058 0.0578 0.0543
Loa Loa (eye worm) hypothetical protein 0.0031 0.0244 0.0705
Trichomonas vaginalis PIKK family atypical protein kinase 0.0133 0.1487 0.638
Loa Loa (eye worm) hypothetical protein 0.018 0.2064 0.6002
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0497 0.758
Toxoplasma gondii FATC domain-containing protein 0.0133 0.1487 0.7946
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0497 0.1631
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0058 0.0578 0.2151
Echinococcus multilocularis cyclins 0.0043 0.0389 0.0387
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0765 0.0731
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0031 0.0244 0.0242
Trichomonas vaginalis cyclin B, putative 0.0043 0.0389 0.0742
Plasmodium vivax glycogen synthase kinase 3, putative 0.0058 0.0578 1
Entamoeba histolytica protein kinase domain containing protein 0.0058 0.0578 0.2137
Echinococcus granulosus cyclin dependent kinase 5 0.0052 0.0507 0.0505
Schistosoma mansoni hypothetical protein 0.0494 0.5875 0.5859
Plasmodium falciparum protein kinase 5 0.0052 0.0507 0.7879
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0507 0.1349
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0058 0.0578 0.0577
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0031 0.0244 0.0242
Echinococcus multilocularis serine protein kinase ATM 0.0133 0.1487 0.1486
Brugia malayi Cyclin, N-terminal domain containing protein 0.0043 0.0389 0.1078
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0031 0.0244 0.0015
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0031 0.0244 0.0242
Echinococcus granulosus cyclins 0.0043 0.0389 0.0387
Brugia malayi CXXC zinc finger family protein 0.0035 0.0293 0.0812
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.007 0.0716 0.0715
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0578 0.1717
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Loa Loa (eye worm) hypothetical protein 0.018 0.2064 0.6002
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5875 0.5874
Mycobacterium leprae conserved hypothetical protein 0.0031 0.0244 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0159 0.1809 0.5018
Entamoeba histolytica protein kinase, putative 0.0058 0.0578 0.2137
Entamoeba histolytica cyclin family protein 0.0043 0.0389 0.0924
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0783 0.9391 0.9391
Onchocerca volvulus 0.0035 0.0293 0.1457
Giardia lamblia Kinase, CMGC CDK 0.0052 0.0507 0.168
Trichomonas vaginalis cyclins, putative 0.0043 0.0389 0.0742
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Echinococcus multilocularis 0.0031 0.0244 0.0242
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0031 0.0244 0.0208
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0507 0.0472
Echinococcus granulosus cyclin dependent kinase 1 0.0052 0.0507 0.0505
Echinococcus granulosus cyclin b3 0.0043 0.0389 0.0387
Echinococcus multilocularis cyclins 0.0043 0.0389 0.0387
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0031 0.0244 0.0084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0031 0.0244 0.0208
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Echinococcus granulosus cyclins 0.0043 0.0389 0.0387
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0307 0.3605 0.3604
Echinococcus granulosus protein kinase shaggy 0.0058 0.0578 0.0577
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0031 0.0244 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.009 0.0964 0.3696
Schistosoma mansoni cyclin B3 0.0043 0.0389 0.0353
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0052 0.0507 0.0819
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0031 0.0244 0.0008
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0031 0.0244 0.0018
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0031 0.0244 0.0705
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0031 0.0244 0.0677
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0052 0.0507 0.1471
Toxoplasma gondii hypothetical protein 0.0032 0.0264 0.0144
Brugia malayi cell division control protein 2 homolog 0.0052 0.0507 0.1406
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0031 0.0244 0.0015
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0052 0.0507 0.0505
Leishmania major phosphatidylinositol 4-kinase, putative 0.0031 0.0244 0.0009
Plasmodium falciparum glycogen synthase kinase 3 0.0058 0.0578 1
Trichomonas vaginalis cyclin D, putative 0.0043 0.0389 0.0742
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0159 0.1809 0.8036
Trichomonas vaginalis cyclin B, putative 0.0043 0.0389 0.0742
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0497 0.0495
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0159 0.1809 0.466
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0031 0.0244 0.0084
Echinococcus granulosus serine:threonine protein kinase SMG1 0.009 0.0964 0.0963
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0031 0.0244 0.0242
Brugia malayi hypothetical protein 0.002 0.011 0.0305
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0307 0.3605 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0031 0.0244 0.0015
Echinococcus granulosus cyclin dependent kinase 0.0052 0.0507 0.0505
Loa Loa (eye worm) cyclin domain-containing protein 0.0043 0.0389 0.1126
Brugia malayi Cyclin, N-terminal domain containing protein 0.0043 0.0389 0.1078
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.009 0.0964 0.0963
Plasmodium falciparum cyclin 0.0043 0.0389 0.4373
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0031 0.0244 0.0208
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0031 0.0244 0.0008
Echinococcus multilocularis cyclin dependent kinase 0.0052 0.0507 0.0505
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0031 0.0244 0.0242
Loa Loa (eye worm) phosphatidylinositol 3 0.0031 0.0244 0.0705
Trypanosoma cruzi CYC2-like cyclin, putative 0.0043 0.0389 0.0438
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0043 0.0389 0.0454
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.1999 0.5544
Leishmania major hypothetical protein, unknown function 0.0031 0.0244 0.0009
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0037 0.0036
Loa Loa (eye worm) phosphatidylinositol kinase 0.0031 0.0244 0.0705
Echinococcus granulosus serine protein kinase ATM 0.0133 0.1487 0.1486
Echinococcus multilocularis cyclins 0.0043 0.0389 0.0387
Trichomonas vaginalis PIKK family atypical protein kinase 0.0191 0.2192 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0043 0.0389 0.1078
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0031 0.0244 0.0208
Trypanosoma cruzi cyclin, putative 0.0043 0.0389 0.0438
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0307 0.3605 1
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0031 0.0244 0.0008
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0031 0.0244 0.0015
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0307 0.3605 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0052 0.0507 0.1695
Loa Loa (eye worm) hypothetical protein 0.0032 0.0254 0.0736
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0058 0.0578 0.1679
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0507 0.1349
Schistosoma mansoni hypothetical protein 0.007 0.0716 0.0681
Trypanosoma cruzi cdc2-related kinase 3 0.0052 0.0507 0.079
Loa Loa (eye worm) hypothetical protein 0.01 0.1089 0.3165
Leishmania major phosphatidylinositol 3-kinase, putative 0.0159 0.1809 0.4831
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0191 0.2192 0.6011
Loa Loa (eye worm) phosphatidylinositol 3 0.0031 0.0244 0.0705
Giardia lamblia Hypothetical protein 0.0043 0.0389 0.0924
Leishmania major cyclin 0.0043 0.0389 0.0454
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0031 0.0244 0.0008
Brugia malayi Protein kinase domain containing protein 0.0052 0.0507 0.1406
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Leishmania major hypothetical protein, conserved 0.0297 0.3487 1
Trypanosoma cruzi cdc2-related kinase 1 0.0052 0.0507 0.079
Entamoeba histolytica protein kinase domain containing protein 0.0058 0.0578 0.2137
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0031 0.0244 0.0008
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0133 0.1487 0.4124
Giardia lamblia GTOR 0.0159 0.1809 1
Trypanosoma brucei protein kinase, putative 0.0058 0.0578 0.1729
Loa Loa (eye worm) phosphatidylinositol 3 0.0031 0.0244 0.0705
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0497 0.1631
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Loa Loa (eye worm) phosphatidylinositol 3 0.0031 0.0244 0.0705
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0133 0.1487 0.1455
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0783 0.9391 0.9391
Entamoeba histolytica cyclin, putative 0.0043 0.0389 0.0924
Toxoplasma gondii target of rapamycin (TOR), putative 0.0159 0.1809 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.01 0.1089 0.4345
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0031 0.0244 0.0677
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0031 0.0244 0.0242
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0052 0.0507 0.0505
Leishmania major phosphatidylinositol 3-kinase, putative 0.0031 0.0244 0.0009
Loa Loa (eye worm) phosphatidylinositol 3 0.0031 0.0244 0.0705
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0159 0.1809 0.8036
Schistosoma mansoni cpg binding protein 0.0037 0.0317 0.0281
Schistosoma mansoni cyclins 0.0043 0.0389 0.0353
Leishmania major phosphatidylinositol kinase, putative 0.0031 0.0244 0.0009
Echinococcus multilocularis cyclin b3 0.0043 0.0389 0.0387
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0591 0.1782
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0052 0.0507 0.0819
Echinococcus multilocularis cpg binding protein 0.0037 0.0317 0.0315
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0159 0.1809 0.4831
Echinococcus granulosus cyclins 0.0043 0.0389 0.0387
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0159 0.1809 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Echinococcus multilocularis cyclins 0.0043 0.0389 0.0387
Entamoeba histolytica protein kinase rad3, putative 0.009 0.0964 0.4601
Leishmania major phosphatidylinositol kinase related protein, putative 0.0074 0.0767 0.162
Trichomonas vaginalis cyclin B3, putative 0.0043 0.0389 0.0742
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0058 0.0578 0.0577
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0043 0.0389 0.0387
Trypanosoma brucei cdc2-related kinase 1 0.0052 0.0507 0.1362
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0031 0.0244 0.0242
Trichomonas vaginalis PIKK family atypical protein kinase 0.009 0.0964 0.3696
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0102 0.1114 0.2595
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.01 0.1089 0.4337
Echinococcus multilocularis cyclin dependent kinase 1 0.0052 0.0507 0.0505
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0058 0.0578 0.1003
Echinococcus granulosus cpg binding protein 0.0037 0.0317 0.0315
Trichomonas vaginalis PIKK family atypical protein kinase 0.009 0.0964 0.3696
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0031 0.0244 0.0009
Schistosoma mansoni cyclin B 0.0043 0.0389 0.0353
Trichomonas vaginalis cyclin D, putative 0.0043 0.0389 0.0742
Loa Loa (eye worm) hypothetical protein 0.0051 0.0494 0.1432
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0037 0.0036
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0244 0.0084
Loa Loa (eye worm) acetyltransferase 0.0175 0.1999 0.5812
Echinococcus granulosus cyclins 0.0043 0.0389 0.0387
Echinococcus multilocularis cyclins 0.0043 0.0389 0.0387
Brugia malayi Cyclin, N-terminal domain containing protein 0.0293 0.3437 0.9534
Entamoeba histolytica hypothetical protein 0.0133 0.1487 0.7942
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.009 0.0964 0.2674
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.009 0.0964 0.3696
Echinococcus multilocularis muscleblind protein 0.018 0.2064 0.2062
Loa Loa (eye worm) phosphatidylinositol 3 0.0159 0.1809 0.526
Plasmodium vivax hypothetical protein 0.0031 0.0244 0.0084
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0191 0.2192 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0121 0.1347 0.5663
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0052 0.0507 0.1471
Echinococcus multilocularis cyclin B3 1 0.0043 0.0389 0.0387
Trypanosoma cruzi hypothetical protein, conserved 0.0267 0.3114 0.8539
Giardia lamblia G2/mitotic-specific cyclin B 0.0043 0.0389 0.0924
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0445 0.6035
Entamoeba histolytica cell division protein kinase 2, putative 0.0052 0.0507 0.168
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0507 0.1349
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5875 0.5874
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0578 0.1717
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Giardia lamblia Kinase, CMGC GSK 0.0058 0.0578 0.2137
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0074 0.0767 0.1563
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0507 0.0472
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0031 0.0244 0.0008
Entamoeba histolytica cell division protein kinase 2, putative 0.0052 0.0507 0.168
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0031 0.0244 0.0242
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0159 0.1809 0.4831
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0031 0.0244 0.0242
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0031 0.0244 0.0008
Echinococcus multilocularis protein kinase shaggy 0.0058 0.0578 0.0577
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0031 0.0244 0.0677
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0031 0.0244 0.0242
Trypanosoma cruzi cyclin, putative 0.0043 0.0389 0.0438
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0031 0.0244 0.0008
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0159 0.1809 0.8036
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0031 0.0244 0.0677
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.1809 0.8033
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0043 0.0389 0.0387
Mycobacterium tuberculosis Conserved hypothetical protein 0.0031 0.0244 0.5
Brugia malayi FAT domain containing protein 0.007 0.0716 0.1986
Schistosoma mansoni cpg binding protein 0.0037 0.0317 0.0281
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0159 0.1809 0.1778
Trichomonas vaginalis PIKK family atypical protein kinase 0.009 0.0964 0.3696
Toxoplasma gondii non-specific serine/threonine protein kinase 0.01 0.1089 0.5407

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3359 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 1.7783 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) 2.8184 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 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) = 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 (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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