Detailed information for compound 1852232

Basic information

Technical information
  • TDR Targets ID: 1852232
  • Name: 3-[5-(azetidine-1-carbonyl)pyridin-2-yl]oxy-5 -[(2S)-1-methoxypropan-2-yl]oxy-N-(5-methylpy razin-2-yl)benzamide
  • MW: 477.512 | Formula: C25H27N5O5
  • H donors: 1 H acceptors: 5 LogP: 1.99 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC[C@@H](Oc1cc(Oc2ccc(cn2)C(=O)N2CCC2)cc(c1)C(=O)Nc1ncc(nc1)C)C
  • InChi: 1S/C25H27N5O5/c1-16-12-27-22(14-26-16)29-24(31)19-9-20(34-17(2)15-33-3)11-21(10-19)35-23-6-5-18(13-28-23)25(32)30-7-4-8-30/h5-6,9-14,17H,4,7-8,15H2,1-3H3,(H,27,29,31)/t17-/m0/s1
  • InChiKey: PKQCXOVYEPLBNO-KRWDZBQOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[[5-(azetidine-1-carbonyl)-2-pyridyl]oxy]-5-[(1S)-2-methoxy-1-methyl-ethoxy]-N-(5-methylpyrazin-2-yl)benzamide
  • 3-[[5-(1-azetidinyl-oxomethyl)-2-pyridyl]oxy]-5-[(1S)-2-methoxy-1-methylethoxy]-N-(5-methyl-2-pyrazinyl)benzamide
  • 3-[5-(azetidin-1-ylcarbonyl)pyridin-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(5-methylpyrazin-2-yl)benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucokinase (hexokinase 4) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Entamoeba histolytica hexokinase 1 Get druggable targets OG5_126743 All targets in OG5_126743
Neospora caninum cDNA FLJ57348, highly similar to Homo sapiens hexokinase domain containing 1 (HKDC1), mRNA, related Get druggable targets OG5_126743 All targets in OG5_126743
Treponema pallidum hexokinase (hxk) Get druggable targets OG5_126743 All targets in OG5_126743
Theileria parva hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Cryptosporidium hominis hexokinase i Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus granulosus hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans similar to D.occidentalis hexokinase HXK which is able to phosphorylate glucose and fructose Get druggable targets OG5_126743 All targets in OG5_126743
Brugia malayi hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Theileria parva hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma congolense hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Babesia bovis hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus granulosus hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma brucei hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus granulosus hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma cruzi hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma brucei hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Plasmodium vivax hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus multilocularis hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Loa Loa (eye worm) hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Loa Loa (eye worm) hexokinase type II Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania infantum hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania braziliensis hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma brucei hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania infantum hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Plasmodium berghei hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania major hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Plasmodium falciparum hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126743 All targets in OG5_126743
Toxoplasma gondii hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus granulosus hexokinase type 2 Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania donovani hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania major hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Cryptosporidium parvum hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Onchocerca volvulus Get druggable targets OG5_126743 All targets in OG5_126743
Schistosoma mansoni hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Loa Loa (eye worm) hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania mexicana hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania mexicana hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus multilocularis hexokinase type 2 Get druggable targets OG5_126743 All targets in OG5_126743
Onchocerca volvulus Get druggable targets OG5_126743 All targets in OG5_126743
Schistosoma japonicum ko:K00844 hexokinase [EC2.7.1.1], putative Get druggable targets OG5_126743 All targets in OG5_126743
Brugia malayi Hexokinase family protein Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans similar to D.occidentalis hexokinase HXK which is able to phosphorylate glucose and fructose Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus multilocularis hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Plasmodium knowlesi hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Entamoeba histolytica hexokinase 2 Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus multilocularis hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Onchocerca volvulus Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma brucei gambiense hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma cruzi hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Plasmodium yoelii hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hexokinase family protein glucokinase (hexokinase 4) 465 aa 470 aa 30.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0109 0.1025
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0036 0.0506 0.3329
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0034 0.0461 0.3033
Trypanosoma brucei hexokinase 0.0096 0.152 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0036 0.0506 0.0498
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0506 0.3329
Brugia malayi CXXC zinc finger family protein 0.0021 0.0249 0.1637
Brugia malayi ecdysteroid receptor 0.0036 0.0506 0.3329
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0017 0.0182 0.0064
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0036 0.0506 0.3323
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.003 0.0392 0.1352
Loa Loa (eye worm) CXXC zinc finger family protein 0.0021 0.0249 0.1629
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.0392 0.2582
Echinococcus granulosus hexokinase 0.0096 0.152 0.1788
Loa Loa (eye worm) hypothetical protein 0.0061 0.0927 0.6098
Loa Loa (eye worm) hypothetical protein 0.0017 0.0181 0.1182
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0181 0.1182
Echinococcus multilocularis L aminoadipate semialdehyde 0.0061 0.0927 0.0926
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0506 0.0594
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0046 0.0677 0.0676
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0174 0.3062
Echinococcus granulosus Nuclear hormone receptor HR96 0.0017 0.0181 0.0211
Loa Loa (eye worm) DR-78 0.0017 0.0181 0.1182
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0017 0.0182 0.0064
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0036 0.0506 0.3323
Echinococcus granulosus ecdysone induced protein 78C 0.0036 0.0506 0.0594
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0012 0.0087 0.0086
Brugia malayi nuclear receptor RXR 0.0019 0.0216 0.1419
Onchocerca volvulus Protein ultraspiracle homolog 0.0036 0.0506 0.2428
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0012 0.0087 0.0101
Brugia malayi nuclear hormone receptor family member nhr-6 0.0017 0.0181 0.119
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0206 0.4087
Loa Loa (eye worm) hypothetical protein 0.0017 0.0181 0.1182
Echinococcus multilocularis serine protein kinase ATM 0.0017 0.0174 0.0172
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Echinococcus granulosus hexokinase 0.0096 0.152 0.1788
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0034 0.0461 0.0444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0174 0.3062
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.003 0.0392 0.0391
Giardia lamblia GTOR 0.003 0.0392 0.5
Trypanosoma brucei hexokinase, putative 0.0096 0.152 1
Entamoeba histolytica hexokinase 2 0.0096 0.152 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.003 0.0392 0.0363
Brugia malayi Nuclear hormone receptor E75 0.0017 0.0181 0.119
Echinococcus multilocularis hexokinase type 2 0.0096 0.152 0.1518
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0037 0.0512 0.337
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0206 0.4087
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0036 0.0506 0.3329
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.003 0.0392 0.046
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0019 0.0216 0.0252
Loa Loa (eye worm) hypothetical protein 0.0017 0.0181 0.1182
Brugia malayi nuclear receptor NHR-67 0.0017 0.0181 0.119
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.003 0.0392 0.0905
Echinococcus multilocularis thyroid hormone receptor alpha 0.0036 0.0506 0.0505
Schistosoma mansoni nuclear receptor 0.0017 0.0181 0.0111
Trypanosoma cruzi hypothetical protein, conserved 0.0149 0.2409 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0206 0.1347
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0506 0.0505
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.003 0.0392 0.1625
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0506 0.0594
Loa Loa (eye worm) hypothetical protein 0.0017 0.0174 0.1134
Trypanosoma brucei hypothetical protein, conserved 0.0017 0.0182 0.0064
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0036 0.0506 0.0498
Toxoplasma gondii target of rapamycin (TOR), putative 0.003 0.0392 0.1625
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0036 0.0506 0.3323
Plasmodium vivax hexokinase, putative 0.0096 0.152 1
Entamoeba histolytica hexokinase 1 0.0096 0.152 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.003 0.0392 0.1625
Schistosoma mansoni cpg binding protein 0.0022 0.0269 0.0216
Schistosoma mansoni RAR-like nuclear receptor 0.0036 0.0506 0.0498
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.003 0.0392 0.1625
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0034 0.0461 0.0444
Loa Loa (eye worm) hypothetical protein 0.0019 0.0216 0.1411
Brugia malayi nuclear hormone receptor 0.0036 0.0506 0.3329
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0017 0.0182 0.5
Leishmania major phosphatidylinositol 3-kinase, putative 0.003 0.0392 0.0905
Schistosoma mansoni retinoic acid receptor RXR 0.0036 0.0506 0.0498
Onchocerca volvulus 0.0096 0.152 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Schistosoma mansoni coup transcription factor 0.0036 0.0506 0.0498
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Brugia malayi hexokinase 0.0096 0.152 1
Echinococcus multilocularis GPCR, family 2 0.0012 0.0087 0.0086
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0034 0.0461 0.3027
Brugia malayi nuclear receptor NHR-88 0.0017 0.0181 0.119
Echinococcus granulosus nuclear receptor nhr 48 0.0017 0.0181 0.0211
Brugia malayi nuclear hormone receptor 0.0017 0.0181 0.119
Schistosoma mansoni cpg binding protein 0.0022 0.0269 0.0216
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.003 0.0392 0.1352
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0036 0.0506 0.3329
Brugia malayi Nuclear hormone receptor-like 1 0.0036 0.0506 0.3329
Brugia malayi Hexokinase family protein 0.0096 0.152 1
Schistosoma mansoni hypothetical protein 0.0025 0.0315 0.0271
Leishmania major hexokinase, putative 0.0096 0.152 0.5755
Mycobacterium ulcerans aldehyde dehydrogenase 0.0046 0.0677 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0017 0.0174 0.0414
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0216 0.1419
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.003 0.0392 0.1625
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0174 0.3062
Echinococcus multilocularis microtubule associated protein 2 0.0508 0.8494 0.8494
Loa Loa (eye worm) hypothetical protein 0.0036 0.0506 0.3323
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0174 0.3062
Schistosoma mansoni aldehyde dehydrogenase 0.0046 0.0677 0.0702
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0017 0.0174 0.0172
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0017 0.0174 0.1142
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0034 0.0461 0.0444
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0206 0.024
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0036 0.0506 0.3329
Toxoplasma gondii aldehyde dehydrogenase 0.0046 0.0677 0.3741
Brugia malayi Calcitonin receptor-like protein seb-1 0.0037 0.0512 0.337
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Trypanosoma cruzi hexokinase, putative 0.0096 0.152 0.6185
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0046 0.0677 0.0796
Brugia malayi Nuclear hormone receptor E75 0.0017 0.0181 0.119
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0012 0.0087 0.0101
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Brugia malayi hypothetical protein 0.0017 0.0181 0.119
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Brugia malayi latrophilin 2 splice variant baaae 0.0025 0.0315 0.2076
Loa Loa (eye worm) hypothetical protein 0.0017 0.0181 0.1182
Plasmodium falciparum hexokinase 0.0096 0.152 1
Brugia malayi hexokinase type II 0.0031 0.0409 0.2689
Leishmania major phosphatidylinositol 3-related kinase, putative 0.003 0.0392 0.0905
Echinococcus granulosus microtubule associated protein 2 0.0508 0.8494 1
Schistosoma mansoni nuclear receptor nhr-48 0.0017 0.0181 0.0111
Echinococcus granulosus dnaJ subfamily B 0.0301 0.499 0.5874
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0017 0.0181 0.119
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0036 0.0506 0.3323
Schistosoma mansoni aldehyde dehydrogenase 0.0046 0.0677 0.0702
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0017 0.0181 0.0179
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0181 0.0179
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0181 0.0111
Onchocerca volvulus 0.0036 0.0506 0.2428
Brugia malayi Hexokinase family protein 0.006 0.0913 0.6005
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0034 0.0461 0.046
Loa Loa (eye worm) hexokinase 0.0096 0.152 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0017 0.0174 0.1142
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0036 0.0506 0.0505
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0061 0.0927 0.0999
Brugia malayi ecdysone receptor 0.0017 0.0181 0.119
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0046 0.0677 0.213
Loa Loa (eye worm) hypothetical protein 0.0036 0.0506 0.3323
Trypanosoma brucei target of rapamycin kinase 3, putative 0.003 0.0392 0.1625
Echinococcus granulosus Nuclear hormone receptor HR96 0.0017 0.0181 0.0211
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0034 0.0461 0.046
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0425 0.7092 0.7092
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0506 0.3329
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0036 0.0506 0.0498
Loa Loa (eye worm) latrophilin receptor protein 2 0.0012 0.0087 0.0566
Loa Loa (eye worm) hypothetical protein 0.0017 0.0181 0.1182
Loa Loa (eye worm) hypothetical protein 0.0031 0.0409 0.2682
Loa Loa (eye worm) hypothetical protein 0.0013 0.0109 0.0711
Echinococcus multilocularis cpg binding protein 0.0022 0.0269 0.0268
Schistosoma mansoni cpg binding protein 0.0021 0.0249 0.0192
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.003 0.0392 0.0905
Loa Loa (eye worm) hypothetical protein 0.0025 0.0315 0.2069
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0506 0.3329
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0174 0.3062
Schistosoma mansoni thyroid hormone receptor 0.0036 0.0506 0.0498
Brugia malayi conserved hypotetical protein 0.0017 0.0181 0.119
Echinococcus granulosus GPCR family 2 0.0012 0.0087 0.0101
Schistosoma mansoni hypothetical protein 0.0301 0.499 0.5832
Echinococcus granulosus thyroid hormone receptor alpha 0.0017 0.0181 0.0211
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.003 0.0392 0.1625
Loa Loa (eye worm) hypothetical protein 0.0036 0.0506 0.3323
Trypanosoma cruzi target of rapamycin kinase 3 0.003 0.0392 0.1352
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.003 0.0392 0.1352
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0037 0.0512 0.3364
Schistosoma mansoni zinc finger protein 0.0017 0.0181 0.0111
Entamoeba histolytica hypothetical protein 0.0017 0.0182 0.0064
Schistosoma mansoni microtubule-associated protein tau 0.0508 0.8494 1
Loa Loa (eye worm) hexokinase 0.003 0.0395 0.259
Brugia malayi orphan nuclear receptor NR2E1 0.0017 0.0181 0.119
Brugia malayi steroid hormone receptor 0.0036 0.0506 0.3329
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0045 0.065 0.0669
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0034 0.0461 0.0541
Brugia malayi hypothetical protein 0.0017 0.0181 0.119
Onchocerca volvulus Hexokinase homolog 0.006 0.0913 0.5466
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.0216 0.0153
Schistosoma mansoni hypothetical protein 0.0013 0.0109 0.0026
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0012 0.0087 0.0574
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0174 0.3062
Loa Loa (eye worm) hypothetical protein 0.0017 0.0181 0.1182
Mycobacterium leprae conserved hypothetical protein 0.0017 0.0182 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.004 0.0569 0.2937
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0017 0.0182 0.5
Trypanosoma cruzi hexokinase, putative 0.0096 0.152 0.6185
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0036 0.0506 0.0505
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0012 0.0087 0.0086
Loa Loa (eye worm) hypothetical protein 0.0036 0.0506 0.3323
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Onchocerca volvulus 0.0096 0.152 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0036 0.0506 0.3323
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0017 0.0181 0.1182
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0036 0.0506 0.3323
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0036 0.0506 0.0505
Onchocerca volvulus 0.006 0.0913 0.5466
Schistosoma mansoni fkbp-rapamycin associated protein 0.0017 0.0174 0.0103
Loa Loa (eye worm) hypothetical protein 0.0012 0.0087 0.0566
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Treponema pallidum hexokinase (hxk) 0.0096 0.152 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0061 0.0927 0.109
Echinococcus granulosus hexokinase type 2 0.0096 0.152 0.1788
Loa Loa (eye worm) hypothetical protein 0.0017 0.0181 0.1182
Loa Loa (eye worm) hypothetical protein 0.0019 0.0216 0.1411
Brugia malayi tailless protein 0.0017 0.0181 0.119
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Echinococcus granulosus FTZ F1 alpha 0.0036 0.0506 0.0594
Loa Loa (eye worm) hypothetical protein 0.0036 0.0506 0.3323
Echinococcus multilocularis hexokinase 0.0096 0.152 0.1518
Loa Loa (eye worm) nuclear hormone receptor 0.0017 0.0181 0.1182
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0017 0.0181 0.0211
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0036 0.0506 0.3329
Loa Loa (eye worm) hypothetical protein 0.0036 0.0506 0.3323
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0017 0.0174 0.0103
Onchocerca volvulus 0.0021 0.0249 0.0507
Leishmania major hypothetical protein, conserved 0.0154 0.2506 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0017 0.0174 0.0203
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0017 0.0181 0.0179
Brugia malayi nuclear hormone receptor family member odr-7 0.0017 0.0181 0.119
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0036 0.0506 0.0498
Loa Loa (eye worm) hypothetical protein 0.0019 0.0216 0.1411
Echinococcus multilocularis hexokinase 0.0096 0.152 0.1518
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.003 0.0392 0.1625
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.003 0.0392 0.0363
Leishmania major hexokinase, putative 0.0096 0.152 0.5755
Loa Loa (eye worm) hypothetical protein 0.0011 0.0077 0.0498
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0019 0.0216 0.0153
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.003 0.0392 0.046
Loa Loa (eye worm) hypothetical protein 0.0017 0.0181 0.1182
Trypanosoma brucei hexokinase 0.0096 0.152 1
Onchocerca volvulus 0.0096 0.152 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0036 0.0506 0.0498
Onchocerca volvulus 0.0061 0.0927 0.5575
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0036 0.0506 0.0505
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0036 0.0506 0.3329
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0506 0.3329
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0017 0.0181 0.0111
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0017 0.0181 0.0179
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.003 0.0392 0.0905
Brugia malayi hypothetical protein 0.0019 0.0216 0.1419
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0181 0.1182
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0506 0.3329
Loa Loa (eye worm) hexokinase 0.0096 0.152 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0036 0.0506 0.0498
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0036 0.0506 0.0594
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0061 0.0927 0.6101
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.003 0.0392 0.0391
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0506 0.3329
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0036 0.0506 0.2428
Brugia malayi hypothetical protein 0.0019 0.0216 0.1419
Onchocerca volvulus Bile acid receptor homolog 0.0036 0.0506 0.2428
Loa Loa (eye worm) phosphatidylinositol 3 0.003 0.0392 0.2575
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0019 0.0216 0.0214
Toxoplasma gondii hexokinase 0.0096 0.152 1
Schistosoma mansoni nuclear receptor 0.0017 0.0181 0.0111
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0036 0.0506 0.0594
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0019 0.0206 0.024
Loa Loa (eye worm) hexokinase 0.006 0.0913 0.6002
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0046 0.0677 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0017 0.0174 0.0414
Echinococcus granulosus serine protein kinase ATM 0.0017 0.0174 0.0203
Loa Loa (eye worm) hypothetical protein 0.0036 0.0506 0.3323
Echinococcus multilocularis nuclear receptor nhr 48 0.0017 0.0181 0.0179
Loa Loa (eye worm) hypothetical protein 0.0019 0.0216 0.1411
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0017 0.0181 0.0179
Echinococcus granulosus cpg binding protein 0.0022 0.0269 0.0315
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0036 0.0506 0.3329
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Schistosoma mansoni thyroid hormone receptor 0.0036 0.0506 0.0498
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0174 0.3062
Loa Loa (eye worm) hypothetical protein 0.0017 0.0181 0.1182
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0046 0.0677 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.003 0.0392 0.1352
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0013 0.0109 0.0127
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0036 0.0506 0.0594
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0425 0.7092 0.8349
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0216 0.1419
Schistosoma mansoni nuclear hormone receptor 0.0036 0.0506 0.0498
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.0392 0.2582
Loa Loa (eye worm) hypothetical protein 0.0017 0.0181 0.1182
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0036 0.0506 0.3329
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0181 0.0111
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0036 0.0506 0.0594
Echinococcus multilocularis FTZ F1 alpha 0.0036 0.0506 0.0505
Loa Loa (eye worm) steroid hormone receptor 0.0036 0.0506 0.3323
Brugia malayi nuclear receptor RXR 0.0017 0.0181 0.119
Loa Loa (eye worm) hypothetical protein 0.0019 0.0216 0.1411
Brugia malayi Latrophilin receptor protein 2 0.0012 0.0087 0.0574
Loa Loa (eye worm) hypothetical protein 0.0037 0.0512 0.3364
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0174 0.3062
Loa Loa (eye worm) hexokinase type II 0.0096 0.152 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0506 0.0505
Loa Loa (eye worm) nuclear receptor NHR-67 0.0017 0.0181 0.1182
Loa Loa (eye worm) hypothetical protein 0.0017 0.0181 0.1182
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0036 0.0506 0.3323
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0181 0.0211
Brugia malayi FAT domain containing protein 0.0013 0.0109 0.072
Brugia malayi nuclear receptor NHR-88 0.0036 0.0506 0.3329
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0013 0.0109 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Echinococcus multilocularis hexokinase 0.0096 0.152 0.1518
Brugia malayi Hexokinase family protein 0.003 0.0395 0.2597
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0019 0.0216 0.1411
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0034 0.0461 0.0541
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0392 1
Echinococcus multilocularis dnaJ subfamily B 0.0301 0.499 0.4989
Echinococcus multilocularis ecdysone induced protein 78C 0.0036 0.0506 0.0505
Mycobacterium ulcerans aldehyde dehydrogenase 0.0046 0.0677 1
Brugia malayi Steroid receptor seven-up type 2 0.0036 0.0506 0.3329
Loa Loa (eye worm) hypothetical protein 0.0031 0.0409 0.2682
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0036 0.0506 0.0594
Schistosoma mansoni hexokinase 0.0096 0.152 0.1704
Loa Loa (eye worm) phosphatidylinositol 3 0.003 0.0392 0.2575
Loa Loa (eye worm) hypothetical protein 0.0066 0.1002 0.6589
Echinococcus granulosus hexokinase 0.0096 0.152 0.1788
Loa Loa (eye worm) hypothetical protein 0.0036 0.0506 0.3323
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0036 0.0506 0.0498
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0017 0.0181 0.0111

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 370 nM Inhibition of recombinant human pancreatic glucokinase by G-6-P dehydrogenase assay ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.