Detailed information for compound 1402854

Basic information

Technical information
  • TDR Targets ID: 1402854
  • Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyrro lidin-1-ylethanone; oxalic acid
  • MW: 393.434 | Formula: C19H27N3O6
  • H donors: 2 H acceptors: 5 LogP: -0.69 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.COc1ccccc1N1CCN(CC1)CC(=O)N1CCCC1
  • InChi: 1S/C17H25N3O2.C2H2O4/c1-22-16-7-3-2-6-15(16)19-12-10-18(11-13-19)14-17(21)20-8-4-5-9-20;3-1(4)2(5)6/h2-3,6-7H,4-5,8-14H2,1H3;(H,3,4)(H,5,6)
  • InChiKey: RMTDSEXSHHHFGS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone; oxalic acid
  • 2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-1-pyrrolidinylethanone; oxalic acid
  • ethanedioic acid; 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone
  • MLS000708422
  • SMR000287889

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A 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 bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma congolense apurinic/apyrimidinic endonuclease, 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
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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 fructose-bisphosphate aldolase, putative 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
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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 fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
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_131570 All targets in OG5_131570
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
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 japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi jmjC 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
Schistosoma japonicum expressed 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
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
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus jumonji domain containing protein 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Theileria parva hypothetical 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
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Heterochromatin protein 1 homolog 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 japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
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) exodeoxyribonuclease III family protein 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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 japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.1703 0.3177
Echinococcus multilocularis peregrin 0.0038 0.0438 0.0887
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.1703 0.4034
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0095 0.2165 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.2848 1
Onchocerca volvulus Putative endochitinase 0.0083 0.1799 0.5799
Schistosoma mansoni chromobox protein 0.0084 0.1837 0.4352
Brugia malayi chromobox protein homolog 3 0.0047 0.0714 0.1093
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0714 0.1454
Schistosoma mansoni hypothetical protein 0.0035 0.0351 0.0832
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0202 0.0582
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.2165 0.5128
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1703 0.7647
Loa Loa (eye worm) hypothetical protein 0.003 0.0202 0.0582
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.06 0.1214
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.06 0.1214
Loa Loa (eye worm) hypothetical protein 0.0052 0.0846 0.2874
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.4518 1
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0202 0.0582
Loa Loa (eye worm) hypothetical protein 0.0047 0.0714 0.2405
Brugia malayi Bromodomain containing protein 0.0046 0.0687 0.1035
Entamoeba histolytica protein kinase, putative 0.0095 0.2165 0.0751
Echinococcus multilocularis dual specificity 0.0095 0.2165 0.4381
Brugia malayi jmjC domain containing protein 0.0186 0.494 1
Schistosoma mansoni hypothetical protein 0.0025 0.0039 0.0092
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.1703 0.3447
Plasmodium vivax hypothetical protein, conserved 0.0117 0.2848 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1837 0.1588
Brugia malayi Protein kinase domain containing protein 0.0095 0.2165 0.415
Onchocerca volvulus 0.0117 0.2848 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0109 0.022
Loa Loa (eye worm) hypothetical protein 0.0037 0.0405 0.1303
Echinococcus granulosus chromobox protein 1 0.0084 0.1837 0.3718
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0033 0.0272 0.0551
Brugia malayi PHD-finger family protein 0.0035 0.0351 0.0328
Onchocerca volvulus 0.0117 0.2848 1
Onchocerca volvulus Putative endochitinase 0.0083 0.1799 0.5799
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.1703 0.3447
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0823 0.0543
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.1703 0.7647
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0351 0.1112
Brugia malayi jmjC domain containing protein 0.003 0.0202 0.0014
Echinococcus granulosus jumonji domain containing 1A 0.003 0.0202 0.041
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0033 0.0272 0.0551
Brugia malayi jmjC domain containing protein 0.003 0.0202 0.0014
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0351 0.0563
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0095 0.2165 1
Onchocerca volvulus Putative endochitinase 0.0074 0.1528 0.4714
Onchocerca volvulus 0.0037 0.0405 0.0215
Leishmania major chitinase 0.0074 0.1528 0.6756
Echinococcus multilocularis jumonji domain containing 1A 0.003 0.0202 0.041
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1837 0.1588
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0823 0.189
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0186 0.494 1
Echinococcus granulosus lysine specific demethylase 5A 0.0116 0.2803 0.5674
Schistosoma mansoni phosphatidylserine receptor 0.003 0.0202 0.0479
Onchocerca volvulus Putative endochitinase 0.0083 0.1799 0.5799
Echinococcus granulosus dual specificity 0.0095 0.2165 0.4381
Toxoplasma gondii hypothetical protein 0.0117 0.2848 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0202 0.0582
Loa Loa (eye worm) cuticular endochitinase 0.0074 0.1528 0.5302
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1471 0.2978
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.149 0.5165
Echinococcus granulosus phd:f box containing protein 0.003 0.0202 0.041
Brugia malayi endochitinase 0.0083 0.1799 0.3379
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.077 0.1558
Schistosoma mansoni hypothetical protein 0.0117 0.2848 0.6747
Loa Loa (eye worm) hypothetical protein 0.0049 0.0776 0.2625
Schistosoma mansoni jumonji domain containing protein 0.0163 0.4221 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0823 0.0543
Echinococcus granulosus chromobox protein 1 0.0084 0.1837 0.3718
Echinococcus granulosus lysine specific demethylase 6a 0.003 0.0202 0.041
Loa Loa (eye worm) hypothetical protein 0.0046 0.0689 0.2315
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1471 0.2978
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0683 0.1383
Schistosoma mansoni chromobox protein 0.0084 0.1837 0.4352
Plasmodium falciparum conserved protein, unknown function 0.0117 0.2848 1
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0117 0.2848 0.559
Echinococcus granulosus jumonji domain containing protein 0.0049 0.077 0.1558
Brugia malayi Endochitinase 0.0083 0.1799 0.3379
Brugia malayi Heterochromatin protein 1 0.0084 0.1837 0.3459
Brugia malayi Bromodomain containing protein 0.0038 0.0438 0.0511
Entamoeba histolytica protein kinase domain containing protein 0.0095 0.2165 0.0751
Brugia malayi jmjC domain containing protein 0.0116 0.2803 0.5495
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0351 0.0711
Loa Loa (eye worm) hypothetical protein 0.0094 0.215 0.7515
Brugia malayi jmjC domain containing protein 0.003 0.0202 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0714 0.0431
Brugia malayi Bromodomain containing protein 0.0091 0.2032 0.3871
Schistosoma mansoni bromodomain containing protein 0.0076 0.1603 0.3797
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.003 0.0202 0.0479
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0117 0.2848 0.5764
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0351 0.0563
Loa Loa (eye worm) hypothetical protein 0.0063 0.1197 0.4124
Schistosoma mansoni jumonji/arid domain-containing protein 0.0116 0.2803 0.6641
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1703 0.7647
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0109 0.0258
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1703 0.7647
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0683 0.1383
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0095 0.2165 0.7568
Loa Loa (eye worm) chitinase I 0.0074 0.1528 0.5302
Brugia malayi endochitinase 0.0074 0.1528 0.2808
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0095 0.2165 1
Onchocerca volvulus Putative endochitinase 0.0074 0.1528 0.4714
Loa Loa (eye worm) hypothetical protein 0.0085 0.1876 0.6539
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0109 0.022
Entamoeba histolytica hypothetical protein 0.0095 0.2165 0.0751
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0351 0.0832
Loa Loa (eye worm) hypothetical protein 0.0079 0.169 0.5879
Schistosoma mansoni jumonji/arid domain-containing protein 0.0116 0.2803 0.6641
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0351 0.0711
Loa Loa (eye worm) hypothetical protein 0.0035 0.0351 0.1112
Echinococcus granulosus peregrin 0.0038 0.0438 0.0887
Loa Loa (eye worm) jmjC domain-containing protein 0.0116 0.2803 0.9841
Brugia malayi jmjC domain containing protein 0.003 0.0202 0.0014
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.1703 0.0206
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0095 0.2165 1
Schistosoma mansoni protein phosphatase 2C 0.003 0.0202 0.0479
Loa Loa (eye worm) hypothetical protein 0.0094 0.215 0.7515
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0117 0.2848 0.5764
Echinococcus multilocularis chromobox protein 1 0.0084 0.1837 0.3718
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0714 0.0431
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.4518 1
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.1837 0.6402
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.4518 0.5
Echinococcus multilocularis JmjC domain containing protein 4 0.003 0.0202 0.041
Loa Loa (eye worm) microfilarial chitinase 0.0072 0.1468 0.5089
Echinococcus granulosus JmjC domain containing protein 4 0.003 0.0202 0.041
Loa Loa (eye worm) hypothetical protein 0.0117 0.2848 1
Schistosoma mansoni jumonji domain containing protein 0.003 0.0202 0.0479
Schistosoma mansoni phd/f-box containing protein 0.003 0.0202 0.0479
Echinococcus multilocularis chromobox protein 1 0.0084 0.1837 0.3718
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0186 0.494 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.1703 0.5924
Echinococcus multilocularis lysine specific demethylase 6a 0.003 0.0202 0.041
Echinococcus multilocularis phd:f box containing protein 0.003 0.0202 0.041
Plasmodium falciparum phd finger protein, putative 0.0035 0.0351 0.0563
Echinococcus multilocularis lysine specific demethylase 5A 0.0114 0.2733 0.5532
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0202 0.0582
Entamoeba histolytica protein kinase, putative 0.0095 0.2165 0.0751
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0351 0.0563

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4125 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) 2.3323 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 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) = 17.7407 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 Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 31.6228 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) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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