Detailed information for compound 1450641

Basic information

Technical information
  • TDR Targets ID: 1450641
  • Name: (5E)-1-cyclohexyl-5-[(2-methoxy-4-morpholin-4 -ylphenyl)methylidene]-1,3-diazinane-2,4,6-tr ione
  • MW: 413.467 | Formula: C22H27N3O5
  • H donors: 1 H acceptors: 3 LogP: 2.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1/C=C/1\C(=O)NC(=O)N(C1=O)C1CCCCC1)N1CCOCC1
  • InChi: 1S/C22H27N3O5/c1-29-19-14-17(24-9-11-30-12-10-24)8-7-15(19)13-18-20(26)23-22(28)25(21(18)27)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H,23,26,28)/b18-13+
  • InChiKey: KSNOVLSZWJCBKN-QGOAFFKASA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5E)-1-cyclohexyl-5-[(2-methoxy-4-morpholino-phenyl)methylene]hexahydropyrimidine-2,4,6-trione
  • (5E)-1-cyclohexyl-5-[(2-methoxy-4-morpholinophenyl)methylene]hexahydropyrimidine-2,4,6-trione
  • (5E)-1-cyclohexyl-5-(2-methoxy-4-morpholino-benzylidene)barbituric acid
  • (5E)-1-cyclohexyl-5-[(2-methoxy-4-morpholin-4-yl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione
  • 1-cyclohexyl-5-[2-methoxy-4-(4-morpholinyl)benzylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
  • MLS000665564
  • SMR000270817
  • ZINC02995459

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative 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
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor 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
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
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
Brugia malayi hypothetical protein 0.0018 0.0076 0.0117
Trypanosoma brucei glucosidase, putative 0.0044 0.0389 0.2801
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0389 0.3048
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0175 0.2044
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0559 0.0559
Loa Loa (eye worm) RNA binding protein 0.038 0.4482 0.6922
Onchocerca volvulus 0.0036 0.0296 0.069
Mycobacterium ulcerans polyketide synthase 0.0025 0.0157 0.1459
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0656 0.1013
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0055 0.0127
Schistosoma mansoni alpha-glucosidase 0.0169 0.1919 0.1919
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0055 0.0127
Echinococcus multilocularis tar DNA binding protein 0.038 0.4482 0.4482
Loa Loa (eye worm) transcription factor SMAD2 0.0385 0.4538 0.7009
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0025 0.0157 0.1787
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0296 0.0296
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0013 0.0013 0.0013
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0172 0.1951 0.1951
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0389 0.0601
Brugia malayi DIX domain containing protein 0.0018 0.0076 0.0117
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.075 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.036 0.0556
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0157 0.1459
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1246 0.3706
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.1246 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0385 0.4538 0.7009
Brugia malayi MH2 domain containing protein 0.0026 0.0176 0.0272
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0296 0.0296
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0016 0.0055 0.0342
Loa Loa (eye worm) hypothetical protein 0.0365 0.4295 0.6634
Loa Loa (eye worm) fatty acid synthase 0.0024 0.0153 0.0236
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0172 0.1951 0.1951
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0025 0.0157 0.1787
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0076 0.0076
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0479 0.0479
Loa Loa (eye worm) latrophilin receptor protein 2 0.0172 0.1951 0.3014
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0051 0.0479 0.3778
Onchocerca volvulus 0.0286 0.3339 0.7773
Echinococcus granulosus GPCR family 2 0.0172 0.1951 0.1951
Echinococcus multilocularis Protein son of sevenless 0.0013 0.0013 0.0013
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0018 0.0076 0.0177
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0076 0.0117
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.075 1
Echinococcus multilocularis GPCR, family 2 0.0172 0.1951 0.1951
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1246 0.3706
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0559 0.13
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0055 0.0127
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0076 0.0076
Loa Loa (eye worm) RasGEF domain-containing protein 0.0013 0.0013 0.002
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0656 0.0656
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0025 0.0157 0.4065
Brugia malayi Calcitonin receptor-like protein seb-1 0.0544 0.6475 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0018 0.0076 0.0117
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.2252 0.3478
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0389 0.1129
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.262 0.262
Onchocerca volvulus 0.0023 0.0137 0.0319
Echinococcus granulosus ras GTP exchange factor 0.0013 0.0013 0.0013
Schistosoma mansoni kinase 0.0058 0.0563 0.0563
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0559 0.0559
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.075 0.5834
Onchocerca volvulus Fatty acid synthase homolog 0.0044 0.0397 0.0923
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0176 0.0176
Loa Loa (eye worm) hypothetical protein 0.0018 0.0076 0.0117
Schistosoma mansoni Smad4 0.0026 0.0176 0.0176
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.075 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0389 0.0389
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0076 0.0076
Brugia malayi MH1 domain containing protein 0.0014 0.0034 0.0052
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0296 0.0296
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.028 0.028
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1246 0.3706
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0559 0.0559
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0479 0.0479
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0656 0.0656
Echinococcus granulosus son of sevenless 1 0.0013 0.0013 0.0013
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0389 0.1129
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0296 0.0296
Schistosoma mansoni regulator of G protein signaling 0.0018 0.0076 0.0076
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0037 0.0305 0.3835
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.0098 0.172
Loa Loa (eye worm) hypothetical protein 0.0372 0.4381 0.6766
Brugia malayi N-terminal motif family protein 0.0365 0.4295 0.6634
Schistosoma mansoni tar DNA-binding protein 0.038 0.4482 0.4482
Loa Loa (eye worm) hypothetical protein 0.0036 0.0296 0.0458
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.1246 0.1924
Schistosoma mansoni smad1 5 8 and 0.0026 0.0176 0.0176
Mycobacterium ulcerans polyketide synthase 0.0026 0.0175 0.1726
Brugia malayi RNA binding protein 0.038 0.4482 0.6922
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0172 0.1951 0.1951
Mycobacterium leprae Probable polyketide synthase Pks1 0.0026 0.0175 0.481
Loa Loa (eye worm) hypothetical protein 0.0544 0.6475 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.1246 1
Mycobacterium ulcerans thioesterase TesA 0.002 0.0107 0.0741
Echinococcus granulosus Smad4 0.0026 0.0176 0.0176
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0389 0.1129
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.0175 0.1726
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0026 0.0175 0.481
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0013 0.0013 0.0013
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0176 0.0272
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0296 0.3879
Loa Loa (eye worm) hypothetical protein 0.0066 0.0656 0.1013
Brugia malayi Isocitrate dehydrogenase 0.0051 0.0479 0.074
Echinococcus granulosus smad 0.0026 0.0176 0.0176
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0544 0.6475 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0026 0.0175 0.481
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.1246 0.1246
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0296 0.0296
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0137 0.0211
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0545 0.1598
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0076 0.0076
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.2252 0.3478
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0051 0.0479 0.3778
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2916 0.4504
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.0055 0.0086
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.075 0.075
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0055 0.0127
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1246 0.3706
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.075 0.075
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.075 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0055 0.0342
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0051 0.0479 0.3558
Toxoplasma gondii isocitrate dehydrogenase 0.0051 0.0479 0.6344
Brugia malayi isocitrate dehydrogenase 0.0051 0.0479 0.074
Echinococcus multilocularis ras GTP exchange factor 0.0013 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.035 0.4119 0.4119
Loa Loa (eye worm) DIX domain-containing protein 0.0018 0.0076 0.0117
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0545 0.1598
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0296 0.0296
Loa Loa (eye worm) RasGEF domain-containing protein 0.0013 0.0013 0.002
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0389 0.1129
Onchocerca volvulus 0.0114 0.1242 0.2892
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.0013 0.0013
Giardia lamblia Kinase, PLK 0.0114 0.1246 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.0098 0.0617
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0055 0.0342
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0013 0.0013 0.0013
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0026 0.0175 0.2044
Loa Loa (eye worm) hypothetical protein 0.0018 0.0076 0.0117
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0365 0.4295 1
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0026 0.0175 0.2044
Echinococcus multilocularis isocitrate dehydrogenase 0.0051 0.0479 0.0479
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.262 0.262
Brugia malayi MH1 domain containing protein 0.0026 0.0176 0.0272
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0013 0.0013 0.0013
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0389 0.1129
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0559 0.0863
Brugia malayi MH2 domain containing protein 0.0026 0.0176 0.0272
Schistosoma mansoni ras GTP exchange factor 0.0013 0.0013 0.0013
Schistosoma mansoni z-protein (S1r protein) 0.0018 0.0076 0.0076
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0389 0.1129
Onchocerca volvulus 0.0018 0.0076 0.0177
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0051 0.0479 0.0479
Brugia malayi MH1 domain containing protein 0.0026 0.0176 0.0272
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0076 0.0117
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Schistosoma mansoni dishevelled 0.0018 0.0076 0.0076
Schistosoma mansoni tar DNA-binding protein 0.038 0.4482 0.4482
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3339 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0047 0.0424 0.0656
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0051 0.0479 0.0479
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0559 0.0559
Toxoplasma gondii type I fatty acid synthase, putative 0.0026 0.0175 0.2247
Schistosoma mansoni tar DNA-binding protein 0.038 0.4482 0.4482
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.0013 0.0013
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0018 0.0076 0.0076
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0025 0.0157 0.4065
Loa Loa (eye worm) hypothetical protein 0.0014 0.0034 0.0052
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0176 0.0176
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0389 0.2801
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0175 0.1726
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0172 0.1951 0.1951
Trypanosoma brucei polo-like protein kinase 0.0114 0.1246 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.038 0.4482 0.6922
Toxoplasma gondii hypothetical protein 0.0018 0.0076 0.0907
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.075 0.075
Brugia malayi RasGEF domain containing protein 0.0013 0.0013 0.002
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.1246 0.1246
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0137 0.1515
Loa Loa (eye worm) MBCTL1 0.0066 0.0656 0.1013
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0157 0.1459
Brugia malayi mbt repeat family protein 0.0058 0.0559 0.0863
Schistosoma mansoni tar DNA-binding protein 0.038 0.4482 0.4482
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0051 0.0479 1
Onchocerca volvulus 0.0013 0.0013 0.0031
Brugia malayi Smad1 0.0026 0.0176 0.0272
Schistosoma mansoni tar DNA-binding protein 0.038 0.4482 0.4482
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0389 0.1129
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1246 0.3706
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2252 0.2252
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0013 0.0013 0.0013
Loa Loa (eye worm) RasGEF domain-containing protein 0.0013 0.0013 0.002
Brugia malayi latrophilin 2 splice variant baaae 0.0372 0.4381 0.6766
Echinococcus granulosus Pleckstrin G protein interacting region 0.0018 0.0076 0.0076
Schistosoma mansoni dep domain containing protein 0.0018 0.0076 0.0076
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0016 0.0055 0.0086
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.0098 0.0617
Brugia malayi N-terminal motif family protein 0.0013 0.0013 0.002
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0157 0.1787
Onchocerca volvulus 0.0043 0.0378 0.088
Schistosoma mansoni alpha glucosidase 0.0044 0.0389 0.0389
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0656 0.0656
Brugia malayi MH2 domain containing protein 0.0385 0.4538 0.7009
Schistosoma mansoni smad1 5 8 and 0.0026 0.0176 0.0176
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.0013 0.0013
Brugia malayi N-terminal motif family protein 0.0013 0.0013 0.002
Loa Loa (eye worm) Smad1 0.0026 0.0176 0.0272
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0389 0.3048
Loa Loa (eye worm) hypothetical protein 0.0014 0.0025 0.0039
Schistosoma mansoni smad 0.0026 0.0176 0.0176
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.1246 0.1924
Mycobacterium tuberculosis Probable thioesterase TesA 0.002 0.0107 0.1096
Schistosoma mansoni hypothetical protein 0.0172 0.1951 0.1951
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0559 0.0559
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.1246 0.1246
Mycobacterium ulcerans thioesterase 0.002 0.0107 0.0741
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0076 0.0076
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0055 0.0127
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0055 0.0127
Echinococcus granulosus tar DNA binding protein 0.038 0.4482 0.4482
Schistosoma mansoni hypothetical protein 0.0172 0.1951 0.1951
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.075 0.075
Echinococcus granulosus Protein son of sevenless 0.0013 0.0013 0.0013
Toxoplasma gondii isocitrate dehydrogenase 0.0051 0.0479 0.6344
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.1246 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0176 0.0176
Loa Loa (eye worm) hypothetical protein 0.0172 0.1951 0.3014
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0025 0.0157 0.0242
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0559 0.0559
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0051 0.0479 0.3558
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0137 0.0211
Loa Loa (eye worm) hypothetical protein 0.0058 0.0559 0.0863
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0389 0.5129
Brugia malayi regulator of G-protein signaling egl-10 0.0018 0.0076 0.0117
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0051 0.0479 0.0479
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0656 0.0656
Brugia malayi MH1 domain containing protein 0.0014 0.0034 0.0052
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0072 0.062
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.0052 0.0578
Toxoplasma gondii type I fatty acid synthase, putative 0.0017 0.007 0.0833
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0296 0.0296
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0176 0.0176
Echinococcus multilocularis Smad4 0.0026 0.0176 0.0176
Brugia malayi Pre-SET motif family protein 0.0251 0.2916 0.4504
Schistosoma mansoni smad1 5 8 and 0.0026 0.0176 0.0176
Schistosoma mansoni hypothetical protein 0.0372 0.4381 0.4381
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0076 0.0076
Brugia malayi mbt repeat family protein 0.0058 0.0559 0.0863
Loa Loa (eye worm) hypothetical protein 0.0013 0.0013 0.002
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0389 0.1129
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.0147 0.166
Brugia malayi Latrophilin receptor protein 2 0.0172 0.1951 0.3014
Loa Loa (eye worm) hypothetical protein 0.0018 0.0076 0.0117
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.075 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0172 0.1951 0.3014
Brugia malayi RNA recognition motif domain containing protein 0.038 0.4482 0.6922
Brugia malayi Pre-SET motif family protein 0.0036 0.0296 0.0458
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0016 0.0055 0.0129
Loa Loa (eye worm) nuclear factor I 0.0014 0.0034 0.0052
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0559 0.0559
Schistosoma mansoni alpha-glucosidase 0.0169 0.1919 0.1919
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.1246 1
Mycobacterium ulcerans polyketide synthase Pks13 0.0037 0.0305 0.3588
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0018 0.0076 0.0076
Brugia malayi RasGEF domain containing protein 0.0013 0.0013 0.002
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0157 0.1459
Brugia malayi TAR-binding protein 0.038 0.4482 0.6922
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0544 0.6475 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0037 0.0305 0.3835
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0176 0.0176
Loa Loa (eye worm) TAR-binding protein 0.038 0.4482 0.6922
Schistosoma mansoni hypothetical protein 0.0172 0.1951 0.1951
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.0147 0.166
Loa Loa (eye worm) hypothetical protein 0.0013 0.0013 0.002
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1246 0.3706
Trichomonas vaginalis maltase-glucoamylase, putative 0.0016 0.0055 0.0127
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0051 0.0479 0.3558
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0389 0.3048
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0076 0.0076
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0479 0.0479
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0389 0.0601
Echinococcus multilocularis smad 0.0026 0.0176 0.0176
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0389 0.3048
Schistosoma mansoni dishevelled 0.0018 0.0076 0.0076
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0389 0.1129
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1246 0.3706
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0157 0.1459
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.1246 0.29
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0012 0.0006 0.0006
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0656 0.0656
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0013 0.0013 0.0031
Onchocerca volvulus 0.0058 0.0559 0.13
Brugia malayi hypothetical protein 0.0018 0.0076 0.0117
Echinococcus multilocularis son of sevenless 1 0.0013 0.0013 0.0013
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0051 0.0479 0.5
Schistosoma mansoni hypothetical protein 0.0172 0.1951 0.1951
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.002 0.0102 0.1032
Loa Loa (eye worm) isocitrate dehydrogenase 0.0051 0.0479 0.074
Brugia malayi RasGEF domain containing protein 0.0013 0.0013 0.002
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0051 0.0479 0.6249
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2252 0.2252
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0076 0.0076
Mycobacterium leprae Polyketide synthase Pks13 0.0037 0.0305 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.2252 0.2252
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0176 0.0272
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.002 0.0107 0.2064
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0055 0.0127

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 2.9935 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (binding) = 10 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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