Detailed information for compound 1407584

Basic information

Technical information
  • TDR Targets ID: 1407584
  • Name: 2-(2-tert-butyl-4-chlorophenoxy)-N,N-dimethyl ethanamine; oxalic acid
  • MW: 345.818 | Formula: C16H24ClNO5
  • H donors: 2 H acceptors: 4 LogP: 1.7 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.CN(CCOc1ccc(cc1C(C)(C)C)Cl)C
  • InChi: 1S/C14H22ClNO.C2H2O4/c1-14(2,3)12-10-11(15)6-7-13(12)17-9-8-16(4)5;3-1(4)2(5)6/h6-7,10H,8-9H2,1-5H3;(H,3,4)(H,5,6)
  • InChiKey: XSOWAAHXHRWQCS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-tert-butyl-4-chloro-phenoxy)-N,N-dimethyl-ethanamine; oxalic acid
  • 2-(2-tert-butyl-4-chloro-phenoxy)ethyl-dimethyl-amine; oxalic acid
  • 2-(2-tert-butyl-4-chloro-phenoxy)-N,N-dimethyl-ethanamine; ethanedioic acid
  • MLS000674840
  • SMR000291885
  • [2-(2-tert-butyl-4-chlorophenoxy)ethyl]dimethylamine oxalate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
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 L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0079 0.1519 0.2217
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0178 0.0323
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0634 0.0619
Echinococcus multilocularis lysine specific demethylase 5A 0.0114 0.2583 0.4684
Echinococcus multilocularis chromobox protein 1 0.0084 0.1668 0.3026
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0208 0.5514 0.5471
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.4405 0.5
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0414 0.0751
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0414 0.0321
Schistosoma mansoni chromobox protein 0.0084 0.1668 0.3026
Schistosoma mansoni alpha glucosidase 0.0044 0.0414 0.0751
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0208 0.5514 1
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0208 0.5514 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0152 0.0276
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.2173 0.3172
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0414 0.0321
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0414 0.0321
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.4405 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0178 0.0323
Brugia malayi jmjC domain containing protein 0.0114 0.2583 0.377
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0186 0.4836 0.877
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0414 0.0321
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3529 0.5152
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0634 0.0543
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0208 0.5514 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0137 0.0248
Schistosoma mansoni jumonji/arid domain-containing protein 0.0114 0.2583 0.4684
Onchocerca volvulus 0.005 0.0605 0.0583
Loa Loa (eye worm) hypothetical protein 0.0037 0.0207 0.0302
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0178 0.0323
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0152 0.0276
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0208 0.5514 0.8049
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0208 0.5514 0.532
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0414 0.0751
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0414 0.0321
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0152 0.0276
Onchocerca volvulus 0.0037 0.0207 0.007
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0414 0.0604
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.4405 0.5
Brugia malayi Pre-SET motif family protein 0.0251 0.685 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.431 0.7816
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1314 0.1918
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0208 0.5514 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0208 0.5514 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0414 0.0751
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0634 0.0543
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.1668 0.2436
Loa Loa (eye worm) hypothetical protein 0.0047 0.0523 0.0763
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3529 0.5152
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.2173 0.394
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.5159 0.9356
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0579 0.1051
Brugia malayi jmjC domain containing protein 0.0186 0.4836 0.7059
Echinococcus granulosus lysine specific demethylase 5A 0.0114 0.2583 0.4684
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0523 0.0477
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.5159 0.7531
Loa Loa (eye worm) hypothetical protein 0.0036 0.0178 0.026
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0208 0.5514 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.2173 0.394
Schistosoma mansoni hypothetical protein 0.0035 0.0152 0.0276
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.5159 0.9356
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0152 0.0222
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0178 0.0323
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0605 0.1097
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0208 0.5514 1
Echinococcus granulosus peregrin 0.0035 0.0152 0.0276
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0178 0.0323
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0152 0.0276
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0208 0.5514 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.1668 0.3026
Echinococcus granulosus chromobox protein 1 0.0084 0.1668 0.3026
Schistosoma mansoni chromobox protein 0.0084 0.1668 0.3026
Echinococcus granulosus chromobox protein 1 0.0084 0.1668 0.3026
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0414 0.0751
Loa Loa (eye worm) jmjC domain-containing protein 0.0114 0.2583 0.377
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0186 0.4836 0.877
Brugia malayi Pre-SET motif family protein 0.0036 0.0178 0.026
Brugia malayi Bromodomain containing protein 0.0035 0.0152 0.0222
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0414 0.0321
Plasmodium vivax SET domain protein, putative 0.0036 0.0178 0.0323
Onchocerca volvulus 0.0114 0.2588 0.3133
Loa Loa (eye worm) hypothetical protein 0.0035 0.0152 0.0222
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0208 0.5514 0.8049
Brugia malayi PHD-finger family protein 0.0035 0.0152 0.0222
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0523 0.0431
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0178 0.0323
Brugia malayi MH2 domain containing protein 0.0144 0.3529 0.5152
Brugia malayi chromobox protein homolog 3 0.0047 0.0523 0.0763
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.685 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.5159 0.7531
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0414 0.0751
Trichomonas vaginalis set domain proteins, putative 0.0286 0.7927 0.7907
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0208 0.5514 0.5471
Onchocerca volvulus 0.01 0.2173 0.2599
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.2173 0.394
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1668 0.1588
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0208 0.5514 0.8049
Schistosoma mansoni jumonji domain containing protein 0.0163 0.4101 0.7438
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0208 0.5514 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0414 0.0751
Onchocerca volvulus 0.0286 0.7927 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0523 0.0431
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0414 0.0604
Loa Loa (eye worm) hypothetical protein 0.01 0.2173 0.3172
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0579 0.1051
Brugia malayi Heterochromatin protein 1 0.0084 0.1668 0.2436
Plasmodium falciparum phd finger protein, putative 0.0035 0.0152 0.0276
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0152 0.0276
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0208 0.5514 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1668 0.1588
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0414 0.0321
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.5159 0.9356
Trypanosoma brucei glucosidase, putative 0.0044 0.0414 0.0751
Schistosoma mansoni jumonji/arid domain-containing protein 0.0114 0.2583 0.4684
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0178 0.0323
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0414 0.0321
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0208 0.5514 0.8049
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0152 0.0276
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0414 0.0321
Echinococcus multilocularis peregrin 0.0035 0.0152 0.0276
Schistosoma mansoni alpha-glucosidase 0.0169 0.431 0.7816

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 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) = 4.4668 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 (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 8.9125 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) = 14.0919 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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