Detailed information for compound 1342607

Basic information

Technical information
  • TDR Targets ID: 1342607
  • Name: 2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-5- nitrobenzonitrile
  • MW: 304.344 | Formula: C15H20N4O3
  • H donors: 1 H acceptors: 3 LogP: 2.29 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cc(ccc1NCC(N1CCOCC1)(C)C)[N+](=O)[O-]
  • InChi: 1S/C15H20N4O3/c1-15(2,18-5-7-22-8-6-18)11-17-14-4-3-13(19(20)21)9-12(14)10-16/h3-4,9,17H,5-8,11H2,1-2H3
  • InChiKey: WZCIBTUVWRCNQK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(2-methyl-2-morpholino-propyl)amino]-5-nitro-benzonitrile
  • 2-[(2-methyl-2-morpholinopropyl)amino]-5-nitrobenzonitrile
  • 2-[(2-methyl-2-morpholin-4-yl-propyl)amino]-5-nitro-benzonitrile
  • T5345551
  • MLS001004081
  • SMR000377695

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.007 0.0442 0.0334
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.009 0.0677 0.0484
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0883 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0486 0.5
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.006 0.0326 0.0126
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0369 0.3954 0.3829
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0124 0.1082 0.0898
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.007 0.0442 0.0435
Trichomonas vaginalis PIKK family atypical protein kinase 0.0298 0.3127 0.2984
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0188 0.1838 0.2288
Echinococcus multilocularis serine protein kinase ATM 0.0169 0.1614 0.1609
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0486 0.0396
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.0326 0.0126
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0049 0.0203 0.0196
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.007 0.0442 0.0435
Schistosoma mansoni fkbp-rapamycin associated protein 0.0169 0.1614 0.1609
Trichomonas vaginalis PIKK family atypical protein kinase 0.0298 0.3127 0.2984
Brugia malayi Bromodomain containing protein 0.0046 0.0168 0.0161
Loa Loa (eye worm) phosphatidylinositol 3 0.0883 1 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0007 0.0007
Plasmodium falciparum phosphatidylinositol 3-kinase 0.007 0.0442 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.009 0.0677 0.0484
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0486 0.5
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.006 0.0326 0.0319
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.1614 0.1441
Trichomonas vaginalis PIKK family atypical protein kinase 0.0658 0.735 0.7295
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0155 0.1443 0.1437
Loa Loa (eye worm) hypothetical protein 0.0085 0.0628 0.0628
Echinococcus multilocularis muscleblind protein 0.018 0.1743 0.1738
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.012 0.1037 0.1031
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.006 0.0326 0.0126
Entamoeba histolytica hypothetical protein 0.006 0.0326 0.0126
Trichomonas vaginalis conserved hypothetical protein 0.011 0.0913 0.0725
Plasmodium vivax hypothetical protein 0.006 0.0326 0.5149
Leishmania major phosphatidylinositol kinase related protein, putative 0.006 0.0326 0.0126
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0155 0.1443 0.1266
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0134 0.0127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0883 1 1
Loa Loa (eye worm) phosphatidylinositol kinase 0.006 0.0326 0.0326
Trichomonas vaginalis PIKK family atypical protein kinase 0.0478 0.5234 0.5135
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.007 0.0442 0.0244
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0155 0.1443 0.1266
Loa Loa (eye worm) phosphatidylinositol 3 0.006 0.0326 0.0326
Entamoeba histolytica hypothetical protein 0.006 0.0326 0.0126
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.006 0.0326 0.0319
Trichomonas vaginalis PIKK family atypical protein kinase 0.0703 0.7884 0.784
Trichomonas vaginalis PIKK family atypical protein kinase 0.0478 0.5243 0.5144
Loa Loa (eye worm) phosphatidylinositol 3 0.006 0.0326 0.0326
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0298 0.3127 0.3122
Loa Loa (eye worm) hypothetical protein 0.0179 0.1732 0.1732
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.006 0.0326 0.5149
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.006 0.0326 0.0319
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0169 0.1614 0.1609
Trichomonas vaginalis PIKK family atypical protein kinase 0.0298 0.3127 0.2984
Schistosoma mansoni phosphatidylinositol 4-kinase 0.007 0.0442 0.0435
Trichomonas vaginalis PIKK family atypical protein kinase 0.011 0.0913 0.0725
Echinococcus multilocularis Zinc finger, PHD finger 0.007 0.0442 0.0435
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.006 0.0326 0.0126
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.012 0.1037 0.1031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0883 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0883 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.006 0.0326 0.0126
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0241 0.2457 0.2451
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0883 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.006 0.0326 0.0319
Toxoplasma gondii FATC domain-containing protein 0.0169 0.1614 0.1975
Loa Loa (eye worm) hypothetical protein 0.0129 0.1137 0.1137
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.007 0.0442 0.0244
Loa Loa (eye worm) phosphatidylinositol 3 0.006 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0188 0.1838 0.1838
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.006 0.0326 0.0319
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0169 0.1614 0.1609
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0704 0.7893 0.7849
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.006 0.0326 0.0319
Trichomonas vaginalis PIKK family atypical protein kinase 0.0593 0.6595 0.6525
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.006 0.0326 0.0126
Toxoplasma gondii target of rapamycin (TOR), putative 0.0658 0.735 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.1614 0.1441
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.006 0.0326 0.0319
Trichomonas vaginalis PIKK family atypical protein kinase 0.0658 0.735 0.7295
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.006 0.0326 0.5149
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.006 0.0326 0.0126
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0486 0.0479
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0471 0.0465
Plasmodium falciparum phosphatidylinositol 4-kinase 0.006 0.0326 0.5149
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0883 1 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.007 0.0442 0.0244
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.009 0.0677 0.0484
Trichomonas vaginalis PIKK family atypical protein kinase 0.0658 0.735 0.7295
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.007 0.0442 0.0334
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0169 0.1614 0.1609
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.009 0.0677 0.0484
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0298 0.3127 0.2984
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.007 0.0442 0.0244
Trichomonas vaginalis PIKK family atypical protein kinase 0.0529 0.5838 0.5752
Trichomonas vaginalis PIKK family atypical protein kinase 0.0658 0.735 0.7295
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.006 0.0326 0.0126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0478 0.5243 0.5144
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.0326 0.0126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0658 0.735 0.7295
Loa Loa (eye worm) hypothetical protein 0.0052 0.0229 0.0229
Giardia lamblia Phosphatidylinositol 4-kinase 0.006 0.0326 0.0126
Loa Loa (eye worm) hypothetical protein 0.0046 0.0169 0.0169
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0883 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0704 0.7893 0.7849
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0241 0.2457 0.2451
Mycobacterium leprae conserved hypothetical protein 0.006 0.0326 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0169 0.1614 0.1441
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.006 0.0326 0.5149
Brugia malayi Muscleblind-like protein 0.018 0.1743 0.1738
Entamoeba histolytica hypothetical protein 0.0135 0.1208 0.1026
Brugia malayi FAT domain containing protein 0.0129 0.1137 0.113
Leishmania major phosphatidylinositol kinase, putative 0.006 0.0326 0.0126
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0049 0.0203 0.0196
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.006 0.0326 0.0126
Onchocerca volvulus 0.0049 0.0203 0.6143
Leishmania major phosphatidylinositol 3-kinase, putative 0.0298 0.3127 0.2984
Trichomonas vaginalis PIKK family atypical protein kinase 0.0529 0.5838 0.5752
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0298 0.3127 0.2984
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0298 0.3127 0.2984
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0095 0.0741 0.055
Loa Loa (eye worm) hypothetical protein 0.018 0.1743 0.1743
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.009 0.0677 0.0484
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0883 1 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0049 0.0203 0.0203
Loa Loa (eye worm) hypothetical protein 0.0033 0.0007 0.0007
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.012 0.1037 0.1031
Schistosoma mansoni hypothetical protein 0.006 0.0326 0.0319
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.011 0.0913 0.0725
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.007 0.0442 0.0244
Trichomonas vaginalis PIKK family atypical protein kinase 0.0239 0.2433 0.2277
Brugia malayi intracellular kinase 0.0049 0.0203 0.0196
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0883 1 1
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.006 0.0326 0.5149
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0486 0.0479
Loa Loa (eye worm) hypothetical protein 0.011 0.0913 0.0913
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0049 0.0203 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0298 0.3127 0.2984
Onchocerca volvulus 0.006 0.0326 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.1614 0.1614
Loa Loa (eye worm) phosphatidylinositol 3 0.0298 0.3127 0.3127
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0883 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0298 0.3127 0.2984
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0049 0.0203 0.0196
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.007 0.0442 0.0244
Echinococcus multilocularis muscleblind protein 1 0.018 0.1743 0.1738
Trichomonas vaginalis PIKK family atypical protein kinase 0.0703 0.7884 0.784
Echinococcus multilocularis 0.006 0.0326 0.0319
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0298 0.3127 0.3122
Echinococcus granulosus serine protein kinase ATM 0.0169 0.1614 0.1609
Entamoeba histolytica protein kinase rad3, putative 0.0169 0.1614 0.1441
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0155 0.1443 0.1266
Trichomonas vaginalis PIKK family atypical protein kinase 0.0478 0.5234 0.5135
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.006 0.0326 0.0172
Schistosoma mansoni bromodomain containing protein 0.0076 0.0522 0.0515
Echinococcus granulosus protein kinase shaggy 0.0049 0.0203 0.0196
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.006 0.0326 0.0319
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0129 0.1137 0.113
Leishmania major phosphatidylinositol 4-kinase, putative 0.006 0.0326 0.0126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0658 0.735 0.7295
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0883 1 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0169 0.1614 0.1441
Onchocerca volvulus 0.006 0.0326 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.006 0.0326 0.0319
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.01 0.0802 0.0612
Trichomonas vaginalis PIKK family atypical protein kinase 0.0169 0.1614 0.1441
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0135 0.1208 0.1026
Trichomonas vaginalis PIKK family atypical protein kinase 0.0703 0.7884 0.784
Echinococcus multilocularis protein kinase shaggy 0.0049 0.0203 0.0196
Loa Loa (eye worm) phosphatidylinositol 3 0.006 0.0326 0.0326
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.006 0.0326 0.0319
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0486 0.0479
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0169 0.1614 0.1609
Trichomonas vaginalis PIKK family atypical protein kinase 0.0529 0.5838 0.5752
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0169 0.1614 0.1441
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.007 0.0442 0.0442
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0129 0.1137 0.113
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0704 0.7893 0.7849
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.009 0.0677 0.0484
Schistosoma mansoni phosphatidylinositol 4-kinase 0.006 0.0326 0.0319
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.006 0.0326 0.0319
Trichomonas vaginalis PIKK family atypical protein kinase 0.0524 0.5777 0.5689
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.007 0.0442 0.0435
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.006 0.0326 0.0172
Trichomonas vaginalis PIKK family atypical protein kinase 0.0478 0.5243 0.5144
Leishmania major hypothetical protein, unknown function 0.006 0.0326 0.0126
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.1137 0.0953
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0155 0.1443 0.1266
Giardia lamblia Hypothetical protein 0.006 0.0326 0.0126
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0419 0.4549 0.4436
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0486 0.0479
Trichomonas vaginalis PIKK family atypical protein kinase 0.0703 0.7884 0.784
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.007 0.0442 0.0244
Loa Loa (eye worm) hypothetical protein 0.0035 0.003 0.003
Schistosoma mansoni hypothetical protein 0.0129 0.1137 0.113
Leishmania major phosphatidylinositol 3-kinase, putative 0.007 0.0442 0.0244
Loa Loa (eye worm) hypothetical protein 0.012 0.1037 0.1037
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0086 0.0638 0.0632
Giardia lamblia GTOR 0.0883 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0298 0.3127 0.2984
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.009 0.0677 0.0484
Trichomonas vaginalis PIKK family atypical protein kinase 0.0755 0.8488 0.8457
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.006 0.0326 0.0172
Loa Loa (eye worm) hypothetical protein 0.006 0.0326 0.0326
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.007 0.0442 0.0244
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0486 0.0289
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0298 0.3127 0.2984
Entamoeba histolytica hypothetical protein 0.0169 0.1614 0.1441
Plasmodium vivax hypothetical protein, conserved 0.006 0.0326 0.5149
Trichomonas vaginalis PIKK family atypical protein kinase 0.0703 0.7884 0.784
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.009 0.0677 0.067
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0486 0.5
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0169 0.1614 0.1609
Trichomonas vaginalis PIKK family atypical protein kinase 0.0478 0.5234 0.5135
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.006 0.0326 0.0126
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.007 0.0442 0.0435
Trichomonas vaginalis conserved hypothetical protein 0.0188 0.1838 0.1669
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.007 0.0442 0.0435
Loa Loa (eye worm) hypothetical protein 0.018 0.1743 0.1743
Trichomonas vaginalis PIKK family atypical protein kinase 0.0478 0.5243 0.5144
Trichomonas vaginalis PIKK family atypical protein kinase 0.0658 0.735 0.7295
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0155 0.1443 0.1266
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.008 0.0561 0.0365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0883 1 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.007 0.0442 1
Brugia malayi Bromodomain containing protein 0.0091 0.0688 0.0682
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0471 0.0465
Loa Loa (eye worm) hypothetical protein 0.0049 0.0202 0.0202
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.006 0.0326 0.0126
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0007 0.0007
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.007 0.0442 0.0244
Trichomonas vaginalis PIKK family atypical protein kinase 0.0574 0.6372 0.6297
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0155 0.1443 0.1266
Loa Loa (eye worm) phosphatidylinositol 3 0.0221 0.2221 0.2221
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0169 0.1614 0.1441
Leishmania major hypothetical protein, conserved 0.006 0.0326 0.0126
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0298 0.3127 0.3122
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0124 0.1082 0.0898
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0241 0.2457 0.2451
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0486 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0524 0.5777 0.5689
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.006 0.0326 0.0319
Entamoeba histolytica hypothetical protein 0.006 0.0326 0.0126
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0883 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.009 0.0677 0.067
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0298 0.3127 0.3122
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0104 0.0847 0.0658
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0134 0.0127
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0883 1 1
Echinococcus granulosus muscleblind protein 0.018 0.1743 0.1738

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0928 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) = 0.4467 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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