Detailed information for compound 874137

Basic information

Technical information
  • TDR Targets ID: 874137
  • Name: 1-(2-dimethylaminoethyl)-1-ethyl-3-(2-methyl- 1-oxoisoquinolin-4-yl)urea
  • MW: 316.398 | Formula: C17H24N4O2
  • H donors: 1 H acceptors: 2 LogP: 0.83 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)Nc1cn(C)c(=O)c2c1cccc2)CCN(C)C
  • InChi: 1S/C17H24N4O2/c1-5-21(11-10-19(2)3)17(23)18-15-12-20(4)16(22)14-9-7-6-8-13(14)15/h6-9,12H,5,10-11H2,1-4H3,(H,18,23)
  • InChiKey: NUGDKXOFCYGSMI-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(2-dimethylaminoethyl)-1-ethyl-3-(2-methyl-1-oxo-4-isoquinolyl)urea
  • 1-(2-dimethylaminoethyl)-1-ethyl-3-(1-keto-2-methyl-4-isoquinolyl)urea
  • 1-(2-dimethylaminoethyl)-1-ethyl-3-(2-methyl-1-oxo-isoquinolin-4-yl)urea

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus Tubulin alpha 1 chain 0.0052 0.0053 0.0031
Loa Loa (eye worm) tubulin beta-2A chain 0.0042 0.0036 0.0027
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Schistosoma mansoni tubulin subunit beta 0.0042 0.0036 0.0015
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.2653 0.4671 1
Echinococcus granulosus peroxisome assembly protein 26 0.0052 0.0053 0.0031
Schistosoma mansoni tubulin subunit gamma 0.0042 0.0036 0.0015
Mycobacterium ulcerans DNA gyrase subunit A 0.0117 0.0169 0.0099
Echinococcus multilocularis protein patched 0.2329 0.4094 0.4081
Loa Loa (eye worm) TOPoisomerase family member 0.0034 0.0022 0.0012
Echinococcus multilocularis tubulin subunit beta 0.0042 0.0036 0.0015
Echinococcus granulosus tubulin alpha chain 0.0052 0.0053 0.0031
Leishmania major epsilon tubulin, putative 0.0042 0.0036 0.0027
Entamoeba histolytica tubulin gamma chain 0.0042 0.0036 0.4771
Echinococcus granulosus beta tubulin 0.0042 0.0036 0.0015
Echinococcus granulosus Tubulin beta 2C chain 0.0042 0.0036 0.0015
Entamoeba histolytica tubulin family protein 0.0042 0.0036 0.4771
Echinococcus multilocularis sterol regulatory element binding protein 0.2329 0.4094 0.4081
Echinococcus multilocularis beta tubulin 0.0042 0.0036 0.0015
Echinococcus granulosus tubulin gamma 1 chain 0.0042 0.0036 0.0015
Echinococcus granulosus tubulin epsilon chain 0.0042 0.0036 0.0015
Leishmania major alpha tubulin 0.0052 0.0053 0.0043
Schistosoma mansoni tubulin subunit beta 0.0042 0.0036 0.0015
Trichomonas vaginalis tubulin epsilon chain, putative 0.0042 0.0036 0.007
Echinococcus multilocularis tubulin alpha 3 chain 0.0052 0.0053 0.0031
Trypanosoma brucei epsilon tubulin 0.0042 0.0036 0.0033
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0034 0.0022 1
Trichomonas vaginalis tubulin beta chain, putative 0.0052 0.0053 0.0105
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.5656 1 1
Trypanosoma brucei alpha tubulin 0.0052 0.0053 0.0049
Echinococcus granulosus Tubulin beta 2C chain 0.0042 0.0036 0.0015
Brugia malayi tubulin alpha chain - mouse 0.0052 0.0053 0.0049
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0027 0.001 0.0006
Leishmania major alpha tubulin 0.0052 0.0053 0.0043
Trichomonas vaginalis tubulin alpha chain, putative 0.0042 0.0036 0.007
Echinococcus multilocularis protein dispatched 1 0.2329 0.4094 0.4081
Leishmania major gamma-tubulin 0.0042 0.0036 0.0027
Trichomonas vaginalis tubulin, putative 0.0042 0.0036 0.007
Trypanosoma brucei DNA topoisomerase ii 0.0034 0.0022 0.0018
Echinococcus multilocularis Tubulin beta 2C chain 0.0042 0.0036 0.0015
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.5656 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0052 0.0053 0.0031
Toxoplasma gondii alpha tubulin TUBA1 0.0052 0.0053 0.3105
Trypanosoma brucei epsilon tubulin 0.0042 0.0036 0.0033
Echinococcus multilocularis tubulin alpha chain 0.0052 0.0053 0.0031
Giardia lamblia Alpha-tubulin 0.0052 0.0053 0.0078
Echinococcus multilocularis Tubulin alpha 1 chain 0.0052 0.0053 0.0031
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0034 0.0022 0.0018
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.5656 1 1
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Loa Loa (eye worm) beta-tubulin 0.0042 0.0036 0.0027
Echinococcus granulosus tubulin subunit beta 0.0042 0.0036 0.0015
Echinococcus granulosus tubulin beta 1 chain 0.0042 0.0036 0.0015
Trichomonas vaginalis tubulin beta chain, putative 0.0052 0.0053 0.0105
Trichomonas vaginalis tubulin beta chain, putative 0.0042 0.0036 0.007
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0033 0.002 0.001
Loa Loa (eye worm) tubulin alpha chain 0.0052 0.0053 0.0043
Echinococcus granulosus Protein patched homolog 1 0.2329 0.4094 0.4081
Trichomonas vaginalis tubulin beta chain, putative 0.0052 0.0053 0.0105
Plasmodium falciparum alpha tubulin 1 0.0052 0.0053 0.2095
Brugia malayi CHE-14 protein 0.2329 0.4094 0.4092
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.5656 1 1
Brugia malayi Probable DNA topoisomerase II 0.0034 0.0022 0.0018
Toxoplasma gondii beta-1 tubulin, putative 0.0042 0.0036 0.215
Loa Loa (eye worm) BEN-1 protein 0.0042 0.0036 0.0027
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Schistosoma mansoni tubulin subunit alpha 0.0052 0.0053 0.0031
Echinococcus multilocularis Tubulin alpha 1 chain 0.0052 0.0053 0.0031
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.2653 0.4671 1
Echinococcus multilocularis tubulin alpha chain 0.0052 0.0053 0.0031
Loa Loa (eye worm) alpha-tubulin 0.0052 0.0053 0.0043
Toxoplasma gondii DNA topoisomerase 2, putative 0.0034 0.0022 0.1278
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0034 0.0022 1
Toxoplasma gondii alpha-tubulin I, putative 0.0052 0.0053 0.3105
Toxoplasma gondii beta tubulin 0.0042 0.0036 0.215
Leishmania major alpha tubulin 0.0052 0.0053 0.0043
Leishmania major alpha tubulin 0.0052 0.0053 0.0043
Loa Loa (eye worm) hypothetical protein 0.5656 1 1
Plasmodium falciparum tubulin beta chain 0.0042 0.0036 0.1
Loa Loa (eye worm) hypothetical protein 0.0033 0.002 0.001
Giardia lamblia Beta tubulin 0.0042 0.0036 0.0043
Leishmania major alpha tubulin 0.0052 0.0053 0.0043
Trichomonas vaginalis DNA topoisomerase II, putative 0.0034 0.0022 0.0039
Brugia malayi Tubulin beta-1 chain 0.0042 0.0036 0.0033
Trypanosoma brucei beta tubulin 0.0042 0.0036 0.0033
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0117 0.0169 1
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Brugia malayi Tubulin alpha chain 0.0052 0.0053 0.0049
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0034 0.0022 0.0018
Schistosoma mansoni tubulin subunit beta 0.0042 0.0036 0.0015
Trypanosoma brucei beta tubulin 0.0042 0.0036 0.0033
Echinococcus multilocularis tubulin beta 1 chain 0.0042 0.0036 0.0015
Echinococcus multilocularis tubulin gamma 1 chain 0.0042 0.0036 0.0015
Giardia lamblia Alpha-tubulin 0.0052 0.0053 0.0078
Trypanosoma cruzi beta tubulin, putative 0.0042 0.0036 0.0027
Plasmodium vivax DNA gyrase subunit B, putative 0.0062 0.007 0.3308
Loa Loa (eye worm) tubulin alpha 2 0.0033 0.002 0.001
Schistosoma mansoni alpha tubulin 0.0052 0.0053 0.0031
Loa Loa (eye worm) hypothetical protein 0.0052 0.0053 0.0043
Echinococcus multilocularis tubulin alpha chain 0.0052 0.0053 0.0031
Entamoeba histolytica tubulin alpha-1 chain 0.0052 0.0053 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0052 0.0053 0.0031
Loa Loa (eye worm) tubulin beta chain 0.0042 0.0036 0.0027
Echinococcus multilocularis Tubulin beta 2C chain 0.0042 0.0036 0.0015
Leishmania major alpha tubulin 0.0052 0.0053 0.0043
Trichomonas vaginalis tubulin beta chain, putative 0.0052 0.0053 0.0105
Trypanosoma brucei beta tubulin 0.0042 0.0036 0.0033
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.2329 0.4094 0.4088
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0034 0.0022 0.0012
Echinococcus granulosus Tubulin beta 2C chain 0.0042 0.0036 0.0015
Schistosoma mansoni tubulin subunit beta 0.0042 0.0036 0.0015
Plasmodium vivax tubulin epsilon chain, putative 0.0042 0.0036 0.1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.2653 0.4671 1
Trichomonas vaginalis conserved hypothetical protein 0.2329 0.4094 0.8764
Loa Loa (eye worm) alpha-tubulin 0.0052 0.0053 0.0043
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Echinococcus granulosus Tubulin beta 2C chain 0.0042 0.0036 0.0015
Echinococcus multilocularis Tubulin alpha 1 chain 0.0052 0.0053 0.0031
Leishmania major alpha tubulin 0.0052 0.0053 0.0043
Echinococcus granulosus Tubulin alpha 1 chain 0.0052 0.0053 0.0031
Plasmodium vivax DNA gyrase subunit A, putative 0.0117 0.0169 1
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Giardia lamblia Gamma tubulin 0.0042 0.0036 0.0043
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Plasmodium vivax tubulin alpha chain, putative 0.0052 0.0053 0.2095
Echinococcus granulosus tubulin alpha 1C chain 0.0052 0.0053 0.0031
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.0117 0.0169 1
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Trichomonas vaginalis tubulin epsilon chain, putative 0.0042 0.0036 0.007
Echinococcus multilocularis tubulin subunit TubB 0.0052 0.0053 0.0031
Echinococcus granulosus Niemann Pick C1 protein 0.2329 0.4094 0.4081
Leishmania major mitochondrial DNA topoisomerase II 0.0034 0.0022 0.0012
Leishmania major alpha tubulin 0.0052 0.0053 0.0043
Schistosoma mansoni patched 1 0.2329 0.4094 0.4081
Echinococcus granulosus tubulin alpha 1C chain 0.0052 0.0053 0.0031
Plasmodium falciparum tubulin epsilon chain, putative 0.0042 0.0036 0.1
Trichomonas vaginalis tubulin beta chain, putative 0.0052 0.0053 0.0105
Brugia malayi beta-tubulin, identical 0.0042 0.0036 0.0033
Echinococcus multilocularis tubulin alpha 0.0042 0.0036 0.0015
Echinococcus multilocularis tubulin alpha 3 chain 0.0052 0.0053 0.0031
Loa Loa (eye worm) hypothetical protein 0.2329 0.4094 0.4088
Loa Loa (eye worm) tubulin alpha chain 0.0052 0.0053 0.0043
Brugia malayi tubulin alpha-2 chain 0.0052 0.0053 0.0049
Trypanosoma cruzi epsilon tubulin, putative 0.0042 0.0036 0.0027
Echinococcus granulosus tubulin alpha 0.0042 0.0036 0.0015
Echinococcus granulosus tubulin subunit TubB 0.0052 0.0053 0.0031
Giardia lamblia Beta tubulin 0.0042 0.0036 0.0043
Chlamydia trachomatis DNA gyrase subunit A 0.0117 0.0169 1
Plasmodium falciparum DNA gyrase subunit A 0.0117 0.0169 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0034 0.0022 0.0012
Schistosoma mansoni alpha tubulin 0.0052 0.0053 0.0031
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.5656 1 1
Trypanosoma brucei alpha tubulin 0.0052 0.0053 0.0049
Echinococcus granulosus alpha tubulin 0.0052 0.0053 0.0031
Echinococcus multilocularis tubulin epsilon chain 0.0042 0.0036 0.0015
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0028 0.001 0.0013
Entamoeba histolytica tubulin alpha chain, putative 0.0052 0.0053 1
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.5656 1 1
Plasmodium vivax tubulin beta chain, putative 0.0042 0.0036 0.1
Schistosoma mansoni tubulin subunit epsilon 0.0042 0.0036 0.0015
Loa Loa (eye worm) tubulin beta-4 chain 0.0042 0.0036 0.0027
Echinococcus granulosus Tubulin beta 2C chain 0.0042 0.0036 0.0015
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0033 0.002 0.0035
Echinococcus granulosus tubulin alpha chain 0.0052 0.0053 0.0031
Leishmania major alpha tubulin 0.0052 0.0053 0.0043
Trypanosoma cruzi epsilon tubulin, putative 0.0042 0.0036 0.0027
Loa Loa (eye worm) tubulin alpha-2 chain 0.0052 0.0053 0.0043
Trypanosoma brucei tubulin gamma chain 0.0042 0.0036 0.0033
Schistosoma mansoni tubulin subunit beta 0.0042 0.0036 0.0015
Plasmodium vivax tubulin gamma chain, putative 0.0042 0.0036 0.1
Entamoeba histolytica tubulin family protein 0.0042 0.0036 0.4771
Echinococcus multilocularis tubulin alpha 1C chain 0.0052 0.0053 0.0031
Echinococcus granulosus tubulin alpha chain 0.0052 0.0053 0.0031
Echinococcus granulosus tubulin alpha 3 chain 0.0052 0.0053 0.0031
Trypanosoma brucei alpha tubulin 0.0052 0.0053 0.0049
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0042 0.0036 0.0015
Echinococcus granulosus tubulin alpha chain 0.0052 0.0053 0.0031
Echinococcus multilocularis Tubulin beta 2C chain 0.0042 0.0036 0.0015
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Echinococcus granulosus sterol regulatory element binding protein 0.2329 0.4094 0.4081
Leishmania major alpha tubulin 0.0052 0.0053 0.0043
Schistosoma mansoni tubulin subunit alpha 0.0052 0.0053 0.0031
Brugia malayi Tubulin alpha-2 chain 0.0052 0.0053 0.0049
Trypanosoma brucei epsilon tubulin 0.0042 0.0036 0.0033
Leishmania major alpha tubulin 0.0052 0.0053 0.0043
Echinococcus multilocularis Tubulin beta 2C chain 0.0042 0.0036 0.0015
Trichomonas vaginalis tubulin beta chain, putative 0.0052 0.0053 0.0105
Echinococcus multilocularis hypothetical protein 0.0052 0.0053 0.0031
Trichomonas vaginalis tubulin gamma chain, putative 0.0042 0.0036 0.007
Echinococcus granulosus tubulin alpha 3 chain 0.0052 0.0053 0.0031
Schistosoma mansoni tubulin subunit beta 0.0042 0.0036 0.0015
Trichomonas vaginalis tubulin gamma chain, putative 0.0042 0.0036 0.007
Trypanosoma cruzi alpha tubulin, putative 0.0052 0.0053 0.0043
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0117 0.0169 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0042 0.0036 0.0015
Echinococcus multilocularis tubulin alpha chain 0.0052 0.0053 0.0031
Trichomonas vaginalis tubulin epsilon chain, putative 0.0052 0.0053 0.0105
Trypanosoma brucei alpha tubulin 0.0052 0.0053 0.0049
Schistosoma mansoni niemann-pick C1 (NPC1) 0.2329 0.4094 0.4081
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0027 0.001 0.0006
Trichomonas vaginalis tubulin gamma chain, putative 0.0042 0.0036 0.007
Leishmania major alpha tubulin 0.0052 0.0053 0.0043
Brugia malayi Tubulin alpha-2 chain 0.0052 0.0053 0.0049
Loa Loa (eye worm) tubulin beta-1 chain 0.0042 0.0036 0.0027
Echinococcus granulosus tubulin beta 4A class IVa 0.0042 0.0036 0.0015
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0042 0.0036 0.215
Echinococcus granulosus tubulin alpha chain 0.0052 0.0053 0.0031
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0056 0.006 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.2329 0.4094 0.4081
Trichomonas vaginalis tubulin alpha chain, putative 0.0042 0.0036 0.007
Brugia malayi alpha-tubulin 0.0052 0.0053 0.0049
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.0117 0.0169 1
Brugia malayi Tubulin gamma chain 0.0042 0.0036 0.0033
Echinococcus multilocularis tubulin alpha chain 0.0052 0.0053 0.0031
Plasmodium falciparum alpha tubulin 2 0.0052 0.0053 0.2095
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.5656 1 1
Loa Loa (eye worm) BEN-1 protein 0.0042 0.0036 0.0027
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0034 0.0022 1
Trypanosoma cruzi tubulin gamma chain 0.0042 0.0036 0.0027
Plasmodium falciparum tubulin gamma chain 0.0042 0.0036 0.1
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.5656 1 1
Trypanosoma brucei beta tubulin 0.0042 0.0036 0.0033
Echinococcus granulosus Tubulin alpha 1 chain 0.0052 0.0053 0.0031
Trichomonas vaginalis tubulin epsilon chain, putative 0.0052 0.0053 0.0105
Loa Loa (eye worm) tubulin alpha 2 0.0033 0.002 0.001
Echinococcus granulosus beta tubulin 0.0042 0.0036 0.0015
Schistosoma mansoni alpha tubulin 0.0052 0.0053 0.0031
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Plasmodium falciparum DNA gyrase subunit B 0.0062 0.007 0.3308
Loa Loa (eye worm) tubulin gamma chain 0.0042 0.0036 0.0027
Giardia lamblia Beta tubulin 0.0042 0.0036 0.0043
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.2653 0.4671 1
Echinococcus multilocularis beta tubulin 0.0042 0.0036 0.0015
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0052 0.0053 0.0105
Leishmania major beta tubulin 0.0042 0.0036 0.0027
Schistosoma mansoni tubulin subunit alpha 0.0052 0.0053 0.0031
Plasmodium vivax tubulin alpha chain, putative 0.0052 0.0053 0.2095
Toxoplasma gondii beta-tubulin, putative 0.0042 0.0036 0.215
Trypanosoma brucei beta tubulin 0.0042 0.0036 0.0033

Activities

No activities found for this compound.

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.

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