Detailed information for compound 1191062

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 417.446 | Formula: C18H22F3N3O3S
  • H donors: 2 H acceptors: 4 LogP: 2.13 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1cn(nc1C(F)(F)F)Cc1ccc2c(c1)C[C@H](C2)NS(=O)(=O)C(C)C
  • InChi: 1S/C18H22F3N3O3S/c1-11(2)28(26,27)23-16-6-13-4-3-12(5-14(13)7-16)8-24-9-15(10-25)17(22-24)18(19,20)21/h3-5,9,11,16,23,25H,6-8,10H2,1-2H3/t16-/m0/s1
  • InChiKey: QMPOXUWXLXEAHD-INIZCTEOSA-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 glutamate receptor, ionotropic, AMPA 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus glutamate receptor 1 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 Get druggable targets OG5_128645 All targets in OG5_128645
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor subunit protein glur Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor 4 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor subunit protein glur Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 Get druggable targets OG5_128645 All targets in OG5_128645
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128645 All targets in OG5_128645
Loa Loa (eye worm) glutamate receptor 1 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor 4 Get druggable targets OG5_128645 All targets in OG5_128645
Brugia malayi Glutamate receptor 2 precursor Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Brugia malayi Glutamate receptor 1 precursor Get druggable targets OG5_128645 All targets in OG5_128645
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128645 All targets in OG5_128645
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 glutamate receptor, ionotropic, AMPA 2 883 aa 810 aa 34.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0015 0.012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0002 0.0029
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0266 0.0175 0.2355
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0329 0.0219 0.2865
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1107 0.0765 0.0763
Loa Loa (eye worm) hypothetical protein 0.0301 0.02 0.2654
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.0149 0.0146
Trichomonas vaginalis PIKK family atypical protein kinase 0.0621 0.0424 0.5612
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0266 0.0175 0.2326
Trichomonas vaginalis PIKK family atypical protein kinase 0.1069 0.0738 0.9829
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0329 0.0219 0.2843
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1057 0.073 0.9719
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0105 0.0062 0.3884
Trichomonas vaginalis PIKK family atypical protein kinase 0.0215 0.0139 0.1792
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0025 0.0294
Echinococcus granulosus serine protein kinase ATM 0.0617 0.0422 0.0419
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0002 0.0029
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0087 0.0049 0.0047
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0036 0.0013 0.0011
Brugia malayi phosphofructokinase 0.0105 0.0062 0.0779
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0426 0.0287 0.0285
Brugia malayi 6-phosphofructokinase 0.0105 0.0062 0.0779
Trichomonas vaginalis PIKK family atypical protein kinase 0.1068 0.0738 0.9822
Echinococcus multilocularis muscleblind protein 1 0.0301 0.02 0.0197
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0008 0.003
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1087 0.0751 1
Echinococcus multilocularis glutamate receptor 2 0.0087 0.0049 0.0047
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1107 0.0765 0.2168
Leishmania major phosphatidylinositol 3-kinase, putative 0.1057 0.073 0.1982
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0363 0.0243 0.3162
Schistosoma mansoni nuclear hormone receptor 0.002 0.0002 0.0004
Brugia malayi Cytochrome P450 family protein 0.011 0.0065 0.0826
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0028 0.0008 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0012 0.0083
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0015 0.012
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0008 0.003
Trypanosoma cruzi hypothetical protein, conserved 0.4979 0.3484 1
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0008 0.003
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0105 0.0062 0.3884
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0266 0.0175 0.0448
Onchocerca volvulus 0.0029 0.0008 0.0406
Plasmodium vivax hypothetical protein, conserved 0.0215 0.0139 0.7966
Trichomonas vaginalis PIKK family atypical protein kinase 0.1057 0.073 0.9722
Echinococcus granulosus glutamate receptor 2 0.0087 0.0049 0.0047
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0015 0.0162
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.0743 0.9893
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0052 0.0025 0.2462
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0215 0.0139 0.1876
Leishmania major phosphatidylinositol kinase related protein, putative 0.023 0.015 0.0378
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.0076 0.1011
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0266 0.0175 0.2246
Schistosoma mansoni thyroid hormone receptor 0.002 0.0002 0.0004
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0774 0.0532 0.6937
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1087 0.0751 0.0749
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0266 0.0175 0.2265
Plasmodium vivax 6-phosphofructokinase, putative 0.0028 0.0008 0.0455
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0087 0.0049 0.0047
Trichomonas vaginalis PIKK family atypical protein kinase 0.1066 0.0737 0.9807
Trichomonas vaginalis PIKK family atypical protein kinase 0.1066 0.0737 0.9807
Schistosoma mansoni alpha-glucosidase 0.0147 0.0092 0.1171
Loa Loa (eye worm) hypothetical protein 0.0402 0.027 0.3595
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0266 0.0175 0.0468
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.0062 0.082
Plasmodium vivax 6-phosphofructokinase, putative 0.0028 0.0008 0.0455
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0002 0.0029
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0105 0.0062 1
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0215 0.0139 0.1717
Echinococcus granulosus glutamate receptor 4 0.0051 0.0024 0.0022
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 1.4261 1 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.0077 0.1025
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0426 0.0287 0.0285
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0025 0.0328
Echinococcus granulosus cytochrome P450 2K1 0.0035 0.0013 0.001
Echinococcus multilocularis tumor protein p63 0.0355 0.0237 0.0235
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0329 0.0219 0.2843
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1087 0.0751 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0008 0.0082
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0002 0.0029
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0036 0.0013 0.0011
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0002 0.0029
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0215 0.0139 0.1799
Trichomonas vaginalis PIKK family atypical protein kinase 0.1066 0.0737 0.9808
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.0015 0.012
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.0743 0.9893
Schistosoma mansoni coup transcription factor 0.002 0.0002 0.0004
Loa Loa (eye worm) hypothetical protein 0.0051 0.0024 0.0316
Echinococcus multilocularis glutamate receptor 2 0.0081 0.0045 0.0043
Entamoeba histolytica hypothetical protein 0.0215 0.0139 0.1767
Plasmodium vivax hypothetical protein 0.0215 0.0139 0.7966
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0015 0.012
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0015 0.012
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1087 0.0751 0.2039
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0266 0.0175 0.0468
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.0062 0.0724
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0617 0.0422 0.5495
Mycobacterium tuberculosis Conserved hypothetical protein 0.0215 0.0139 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1087 0.0751 1
Entamoeba histolytica hypothetical protein 0.0617 0.0422 0.5564
Echinococcus multilocularis 0.0215 0.0139 0.0137
Loa Loa (eye worm) hypothetical protein 0.0301 0.02 0.2654
Loa Loa (eye worm) hypothetical protein 0.0455 0.0307 0.4088
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0215 0.0139 0.1795
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.0062 0.0724
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0215 0.0139 0.1767
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0215 0.0139 0.0137
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.003 0.0009 0.0007
Loa Loa (eye worm) hypothetical protein 0.002 0.0002 0.0029
Trichomonas vaginalis PIKK family atypical protein kinase 0.1078 0.0745 0.9914
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1078 0.0745 0.9914
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0215 0.0139 0.1795
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0013 0.0142
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0215 0.0139 0.1717
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0604 0.0412 0.5448
Schistosoma mansoni glutamate receptor kainate 0.003 0.0009 0.0096
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0215 0.0139 0.0137
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0455 0.0307 0.0305
Brugia malayi hypothetical protein 0.0228 0.0149 0.1915
Trichomonas vaginalis conserved hypothetical protein 0.067 0.0459 0.6073
Echinococcus granulosus glutamate receptor 2 0.0076 0.0041 0.0039
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0021 0.0241
Loa Loa (eye worm) phosphatidylinositol 3 0.0711 0.0487 0.6484
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0604 0.0412 0.5434
Giardia lamblia Phosphatidylinositol 4-kinase 0.0215 0.0139 0.1767
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1087 0.0751 0.2039
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0036 0.0013 0.0011
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0002 0.0004
Entamoeba histolytica hypothetical protein 0.0038 0.0015 0.0089
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0215 0.0139 0.0365
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0014 0.0011
Brugia malayi FAT domain containing protein 0.0455 0.0307 0.3995
Schistosoma mansoni alpha-glucosidase 0.0147 0.0092 0.1171
Schistosoma mansoni hypothetical protein 0.0215 0.0139 0.1799
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0062 0.0752
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0215 0.0139 0.1792
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0507 0.0344 0.4535
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0019 0.0017
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.0062 0.0783
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0002 0.0004
Brugia malayi cytochrome P450 0.0035 0.0013 0.0133
Loa Loa (eye worm) phosphatidylinositol 3 0.1087 0.0751 1
Echinococcus granulosus microtubule associated protein 2 0.0725 0.0497 0.0495
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0008 0.0113
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0171 0.0108 0.1438
Loa Loa (eye worm) hypothetical protein 0.0029 0.0008 0.0108
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0215 0.0139 0.1792
Trichomonas vaginalis PIKK family atypical protein kinase 0.1078 0.0745 0.9914
Trichomonas vaginalis PIKK family atypical protein kinase 0.1078 0.0745 0.9914
Leishmania major ATP-dependent phosphofructokinase 0.0105 0.0062 0.0136
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0215 0.0139 0.1876
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1087 0.0751 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0266 0.0175 0.2269
Loa Loa (eye worm) phosphatidylinositol 3 0.0215 0.0139 0.1853
Trypanosoma cruzi cytochrome P450, putative 0.0052 0.0025 0.0035
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0266 0.0175 0.2198
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0279 0.0184 0.2365
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0015 0.0091
Echinococcus granulosus glutamate NMDA receptor subunit 0.003 0.0009 0.0007
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.0062 0.082
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0266 0.0175 0.2265
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0002 0.0004
Entamoeba histolytica hypothetical protein 0.0038 0.0015 0.0089
Brugia malayi Glutamate receptor 1 precursor 0.0081 0.0045 0.0561
Brugia malayi Cytochrome P450 family protein 0.0052 0.0025 0.0292
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.0129 0.1718
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0604 0.0412 0.115
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0014 0.0179
Toxoplasma gondii phosphofructokinase PFKII 0.0028 0.0008 0.0109
Toxoplasma gondii non-specific serine/threonine protein kinase 0.067 0.0459 0.617
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0008 0.0082
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0015 0.0012
Loa Loa (eye worm) hypothetical protein 0.0177 0.0113 0.1496
Schistosoma mansoni glutamate receptor AMPA 0.003 0.0009 0.0096
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0014 0.0148
Loa Loa (eye worm) hypothetical protein 0.0426 0.0287 0.3824
Loa Loa (eye worm) hypothetical protein 0.002 0.0002 0.0029
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0062 0.0752
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0266 0.0175 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0024 0.0316
Trichomonas vaginalis PIKK family atypical protein kinase 0.1057 0.073 0.9722
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0019 0.0223
Toxoplasma gondii FATC domain-containing protein 0.0617 0.0422 0.5672
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0019 0.0017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0215 0.0139 0.1792
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1087 0.0751 0.0749
Trichomonas vaginalis PIKK family atypical protein kinase 0.1069 0.0738 0.9829
Loa Loa (eye worm) hypothetical protein 0.0051 0.0024 0.0316
Giardia lamblia Hypothetical protein 0.0215 0.0139 0.1767
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0215 0.0139 0.7924
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0215 0.0139 0.0137
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1068 0.0738 0.982
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0002 0.0029
Onchocerca volvulus 0.0047 0.0021 0.1258
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0215 0.0139 0.0365
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0402 0.027 0.0742
Loa Loa (eye worm) cytochrome P450 family protein 0.011 0.0065 0.0868
Loa Loa (eye worm) glutamate receptor 2 0.003 0.0009 0.0122
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0388 0.0261 0.3399
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0002 0.0004
Loa Loa (eye worm) hypothetical protein 0.002 0.0002 0.0029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0621 0.0424 0.5612
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0015 0.0006
Schistosoma mansoni fkbp-rapamycin associated protein 0.0603 0.0411 0.5362
Entamoeba histolytica hypothetical protein 0.0038 0.0015 0.0089
Brugia malayi Muscleblind-like protein 0.0301 0.02 0.2584
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0613 0.0419 0.5527
Trichomonas vaginalis PIKK family atypical protein kinase 0.1078 0.0745 0.9914
Trypanosoma cruzi target of rapamycin kinase 3 0.1078 0.0745 0.2109
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.0743 0.9893
Trichomonas vaginalis PIKK family atypical protein kinase 0.0603 0.0411 0.5441
Schistosoma mansoni thyroid hormone receptor 0.002 0.0002 0.0004
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0028 0.0008 0.003
Schistosoma mansoni survival motor neuron protein 0.0047 0.0021 0.0246
Loa Loa (eye worm) hypothetical protein 0.067 0.0459 0.6102
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0015 0.012
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0215 0.0139 0.1876
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0604 0.0412 0.115
Schistosoma mansoni cytochrome P450 0.0035 0.0013 0.0138
Trichomonas vaginalis PIKK family atypical protein kinase 0.1087 0.0751 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0266 0.0175 0.0173
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0015 0.012
Trichomonas vaginalis PIKK family atypical protein kinase 0.1087 0.0751 1
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0028 0.0008 0.0109
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0266 0.0175 0.2246
Leishmania major phosphatidylinositol 3-kinase, putative 0.0266 0.0175 0.0448
Loa Loa (eye worm) phosphatidylinositol 3 0.0215 0.0139 0.1853
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0036 0.0013 0.0011
Brugia malayi Pre-SET motif family protein 0.0201 0.0129 0.1663
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1107 0.0765 0.2168
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0008 0.003
Echinococcus multilocularis muscleblind protein 0.0301 0.02 0.0197
Echinococcus granulosus muscleblind protein 0.0301 0.02 0.0197
Trichomonas vaginalis PIKK family atypical protein kinase 0.1057 0.073 0.9722
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0455 0.0307 0.0305
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0016 0.0183
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.023 0.015 0.0394
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0028 0.0008 0.5
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0266 0.0175 0.2269
Trichomonas vaginalis PIKK family atypical protein kinase 0.0632 0.0432 0.5719
Echinococcus granulosus glutamate receptor subunit protein glur 0.0062 0.0032 0.0029
Loa Loa (eye worm) hypothetical protein 0.002 0.0002 0.0029
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0025 0.0294
Echinococcus multilocularis bloom syndrome protein 0.0025 0.0006 0.0003
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0015 0.0006
Schistosoma mansoni glutamate receptor NMDA 0.003 0.0009 0.0096
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0008 0.0006
Loa Loa (eye worm) cytochrome P450 0.0035 0.0013 0.0165
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0014 0.0011
Loa Loa (eye worm) CYP4Cod1 0.0052 0.0025 0.0326
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0329 0.0219 0.2865
Echinococcus granulosus bloom syndrome protein 0.0025 0.0006 0.0003
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0015 0.0012
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0215 0.0139 0.1799
Brugia malayi Glutamate receptor 2 precursor 0.0081 0.0045 0.0561
Echinococcus multilocularis microtubule associated protein 2 0.0725 0.0497 0.0495
Schistosoma mansoni hypothetical protein 0.0035 0.0013 0.0138
Loa Loa (eye worm) hypothetical protein 0.0052 0.0025 0.0328
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0028 0.0008 0.0255
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.0743 0.9893
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.0025 0.0326
Leishmania major hypothetical protein, unknown function 0.0215 0.0139 0.035
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0443 0.0299 0.3921
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0679 0.0465 0.6124
Entamoeba histolytica protein kinase rad3, putative 0.0603 0.0411 0.5427
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.0062 0.0142
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0603 0.0411 0.1149
Trichomonas vaginalis PIKK family atypical protein kinase 0.1066 0.0737 0.9808
Entamoeba histolytica hypothetical protein 0.0215 0.0139 0.1767
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0617 0.0422 0.1178
Brugia malayi hypothetical protein 0.0038 0.0015 0.016
Echinococcus multilocularis 0.0035 0.0013 0.001
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1107 0.0765 0.0763
Trichomonas vaginalis PIKK family atypical protein kinase 0.0621 0.0424 0.5612
Brugia malayi Glycosyl hydrolases family 31 protein 0.0171 0.0108 0.1387
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0604 0.0412 0.5367
Schistosoma mansoni glutamate receptor kainate 0.003 0.0009 0.0096
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0008 0.0006
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0025 0.0295
Loa Loa (eye worm) hypothetical protein 0.0215 0.0139 0.1853
Onchocerca volvulus 0.0052 0.0025 0.1514
Schistosoma mansoni glutamate receptor AMPA 0.003 0.0009 0.0096
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0019 0.0017
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.0062 0.0667
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0036 0.0013 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.069 0.0473 0.6266
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.0062 0.0783
Loa Loa (eye worm) phosphofructokinase 0.0105 0.0062 0.082
Brugia malayi MH2 domain containing protein 0.0125 0.0076 0.0966
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0266 0.0175 0.2269
Trichomonas vaginalis PIKK family atypical protein kinase 0.0387 0.026 0.3411
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0215 0.0139 0.7966
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0617 0.0422 0.5493
Echinococcus granulosus 6 phosphofructokinase 0.0105 0.0062 0.0059
Trichomonas vaginalis PIKK family atypical protein kinase 0.1066 0.0737 0.9808
Toxoplasma gondii 6-phosphofructokinase 0.0028 0.0008 0.0109
Echinococcus multilocularis lysosomal alpha glucosidase 0.0171 0.0108 0.0106
Trichomonas vaginalis PIKK family atypical protein kinase 0.1057 0.073 0.9722
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0215 0.0139 0.7966
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1068 0.0738 0.2002
Echinococcus multilocularis lysosomal alpha glucosidase 0.0171 0.0108 0.0106
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0603 0.0411 0.0409
Trichomonas vaginalis conserved hypothetical protein 0.0455 0.0307 0.4044
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0329 0.0219 0.2799
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0215 0.0139 0.0137
Loa Loa (eye worm) hypothetical protein 0.0228 0.0149 0.1974
Toxoplasma gondii target of rapamycin (TOR), putative 0.1075 0.0743 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0025 0.0324
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0015 0.02
Brugia malayi Cytochrome P450 family protein 0.0035 0.0013 0.0133
Schistosoma mansoni hypothetical protein 0.0455 0.0307 0.3998
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.0743 0.9893
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0604 0.0412 0.5448
Loa Loa (eye worm) hypothetical protein 0.0032 0.001 0.0134
Schistosoma mansoni glutamate receptor kainate 0.003 0.0009 0.0096
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0266 0.0175 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0604 0.0412 0.5448
Mycobacterium ulcerans 6-phosphofructokinase 0.0105 0.0062 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0507 0.0344 0.4535
Echinococcus granulosus tumor protein p63 0.0355 0.0237 0.0235
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0002 0.0004
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.017 0.0108 0.1381
Loa Loa (eye worm) phosphatidylinositol 3 0.0215 0.0139 0.1853
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0002 0.0004
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.0062 0.0724
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0215 0.0139 0.0137
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.0015 0.012
Trichomonas vaginalis PIKK family atypical protein kinase 0.1087 0.0751 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.0076 0.1011
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1078 0.0745 0.2021
Echinococcus multilocularis glutamate receptor 4 0.0051 0.0024 0.0022
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0215 0.0139 0.0365
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0617 0.0422 0.5536
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.0743 0.9893
Entamoeba histolytica hypothetical protein 0.054 0.0368 0.4837
Schistosoma mansoni hypothetical protein 0.0036 0.0013 0.0146
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0215 0.0139 0.0365
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0008 0.0082
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.0006 0.0044
Trichomonas vaginalis PIKK family atypical protein kinase 0.1078 0.0745 0.9914
Loa Loa (eye worm) hypothetical protein 0.002 0.0002 0.0029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0617 0.0422 0.5577
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0015 0.0091
Loa Loa (eye worm) RecQ helicase 0.0025 0.0006 0.0074
Brugia malayi 6-phosphofructokinase 0.0105 0.0062 0.0779
Echinococcus multilocularis 6 phosphofructokinase 0.0105 0.0062 0.0059
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1087 0.0751 0.2128
Leishmania major phosphatidylinositol kinase, putative 0.0215 0.0139 0.035
Onchocerca volvulus 0.0215 0.0139 0.9358
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0019 0.0219
Schistosoma mansoni ATP-binding cassette transporter 0.003 0.0009 0.0096
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0002 0.0029
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1107 0.0765 1
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0215 0.0139 0.7924
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0036 0.0013 0.0011
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0015 0.012
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0019 0.0223
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1087 0.0751 0.2128
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.0025 0.0326
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0062 0.0752
Trichomonas vaginalis PIKK family atypical protein kinase 0.0225 0.0146 0.1877
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0426 0.0287 0.3736
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0015 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.0387 0.026 0.3411
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0266 0.0175 0.2261
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0002 0.0004
Loa Loa (eye worm) hypothetical protein 0.002 0.0002 0.0029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0623 0.0426 0.5633
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0015 0.0164
Mycobacterium leprae conserved hypothetical protein 0.0215 0.0139 1
Loa Loa (eye worm) hypothetical protein 0.0603 0.0411 0.5475
Schistosoma mansoni hypothetical protein 0.0038 0.0015 0.0164
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1087 0.0751 0.9814
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0008 0.0005
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0114 0.0068 0.016
Leishmania major phosphatidylinositol 4-kinase, putative 0.0215 0.0139 0.035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0019 0.0223
Trypanosoma brucei glucosidase, putative 0.0038 0.0015 0.0029
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0266 0.0175 0.2355
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.0743 0.9893
Toxoplasma gondii cytochrome p450 superfamily protein 0.0035 0.0013 0.017
Loa Loa (eye worm) phosphatidylinositol 3 0.1068 0.0738 0.9823
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0019 0.0252
Onchocerca volvulus 0.0229 0.0149 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1087 0.0751 0.9814
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0329 0.0219 0.2846
Trichomonas vaginalis PIKK family atypical protein kinase 0.1066 0.0737 0.9807
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0329 0.0219 0.0596
Trichomonas vaginalis PIKK family atypical protein kinase 0.0613 0.0419 0.5541
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0019 0.0017
Giardia lamblia GTOR 0.1087 0.0751 1
Trypanosoma cruzi cytochrome P450, putative 0.0052 0.0025 0.0035
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0774 0.0532 0.0529
Loa Loa (eye worm) phosphatidylinositol 3 0.0114 0.0068 0.0903
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0329 0.0219 0.2843
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0603 0.0411 0.536
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0008 0.003
Schistosoma mansoni alpha glucosidase 0.0038 0.0015 0.0166
Echinococcus granulosus lysosomal alpha glucosidase 0.0171 0.0108 0.0106
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0008 0.003
Loa Loa (eye worm) hypothetical protein 0.002 0.0002 0.0029
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0015 0.0012
Trichomonas vaginalis set domain proteins, putative 0.0229 0.0149 0.1918
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0012 0.0083
Entamoeba histolytica hypothetical protein 0.0038 0.0015 0.0089
Echinococcus granulosus glutamate receptor 1 0.0051 0.0024 0.0022
Leishmania major cytochrome p450-like protein 0.0052 0.0025 0.0033
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0266 0.0175 0.0173
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0774 0.0532 0.0529
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0062 0.0752
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.0149 0.0146
Trichomonas vaginalis PIKK family atypical protein kinase 0.1066 0.0737 0.9808
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0062 0.0032 0.0029
Leishmania major hypothetical protein, conserved 0.5195 0.3635 1
Onchocerca volvulus 0.0099 0.0058 0.3769
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0266 0.0175 0.0173
Brugia malayi Pre-SET motif family protein 0.0029 0.0008 0.0078
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0329 0.0219 0.2865
Loa Loa (eye worm) hypothetical protein 0.002 0.0002 0.0029
Loa Loa (eye worm) phosphatidylinositol 3 0.0215 0.0139 0.1853
Loa Loa (eye worm) phosphatidylinositol kinase 0.0215 0.0139 0.1853
Echinococcus multilocularis serine protein kinase ATM 0.0617 0.0422 0.0419
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0008 0.0082
Schistosoma mansoni hypothetical protein 0.0047 0.0021 0.0246
Schistosoma mansoni microtubule-associated protein tau 0.0725 0.0497 0.6482
Onchocerca volvulus 0.0215 0.0139 0.9358
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0002 0.0004
Loa Loa (eye worm) glutamate receptor 1 0.0081 0.0045 0.0599
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0028 0.0008 0.0255
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0603 0.0411 0.0409
Loa Loa (eye worm) hypothetical protein 0.0036 0.0013 0.0173
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0015 0.0012
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1107 0.0765 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0234 0.0152 0.1889
Trypanosoma brucei cytochrome P450, putative 0.0052 0.0025 0.0164
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0215 0.0139 0.1795
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0002 0.0029
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0215 0.0139 0.7966
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.054 0.0368 0.4837
Schistosoma mansoni glutamate receptor NMDA 0.0036 0.0013 0.0148
Entamoeba histolytica hypothetical protein 0.0215 0.0139 0.1767
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0008 0.0006
Plasmodium vivax SET domain protein, putative 0.0029 0.0008 0.0474
Brugia malayi Cytochrome P450 family protein 0.0052 0.0025 0.0292
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0015 0.0193
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0002 0.0004
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0215 0.0139 0.1799
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0016 0.0183
Echinococcus multilocularis glutamate receptor 2 0.0076 0.0041 0.0039
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0266 0.0175 0.0173

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 6.3 Modulatory activity at GluA2 receptor LBD ChEMBL. 21190850
permeability (ADMET) = 128 nm/s Permeability from apical to basolateral side of human Caco2 cells ChEMBL. 21190850
permeability (ADMET) = 290 nm/s Permeability from basolateral to apical side of human Caco2 cells ChEMBL. 21190850

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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