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

Hover on a compound node to display the structore

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 bromodomain adjacent to zinc finger domain, 2B 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 tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 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
Schistosoma japonicum Conserved hypothetical 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
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus jumonji domain containing protein 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
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 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
Schistosoma japonicum 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 multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
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 gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Theileria parva hypothetical protein 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus 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
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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 expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
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 brucei tyrosyl-DNA Phosphodiesterase (Tdp1), 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
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni ap endonuclease 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
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Treponema pallidum exodeoxyribonuclease (exoA) 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
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Schistosoma japonicum expressed protein 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) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, 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 Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative 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
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein 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
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
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
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
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Trypanosoma congolense 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Chromobox protein homolog 5, 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
Echinococcus multilocularis Transcription factor, 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
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 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
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) 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
Echinococcus multilocularis transcription factor Dp 1 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni ap endonuclease 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
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 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
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 %
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
Loa Loa (eye worm) hypothetical protein 0.0094 0.215 0.7515
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1703 0.7647
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0033 0.0272 0.0551
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.1703 0.3447
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.06 0.1214
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0351 0.0563
Loa Loa (eye worm) cuticular endochitinase 0.0074 0.1528 0.5302
Echinococcus granulosus dual specificity 0.0095 0.2165 0.4381
Leishmania major chitinase 0.0074 0.1528 0.6756
Schistosoma mansoni jumonji domain containing protein 0.0163 0.4221 1
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0202 0.0582
Onchocerca volvulus Putative endochitinase 0.0083 0.1799 0.5799
Brugia malayi jmjC domain containing protein 0.003 0.0202 0.0014
Brugia malayi jmjC domain containing protein 0.0186 0.494 1
Plasmodium falciparum conserved protein, unknown function 0.0117 0.2848 1
Echinococcus multilocularis phd:f box containing protein 0.003 0.0202 0.041
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.1703 0.3447
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.4518 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0109 0.022
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0202 0.0582
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0351 0.0563
Echinococcus granulosus lysine specific demethylase 5A 0.0116 0.2803 0.5674
Echinococcus multilocularis chromobox protein 1 0.0084 0.1837 0.3718
Brugia malayi jmjC domain containing protein 0.003 0.0202 0.0014
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.4518 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0109 0.022
Onchocerca volvulus 0.0037 0.0405 0.0215
Loa Loa (eye worm) hypothetical protein 0.0085 0.1876 0.6539
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0095 0.2165 1
Loa Loa (eye worm) microfilarial chitinase 0.0072 0.1468 0.5089
Onchocerca volvulus Putative endochitinase 0.0074 0.1528 0.4714
Schistosoma mansoni jumonji/arid domain-containing protein 0.0116 0.2803 0.6641
Brugia malayi jmjC domain containing protein 0.003 0.0202 0.0014
Schistosoma mansoni chromobox protein 0.0084 0.1837 0.4352
Loa Loa (eye worm) hypothetical protein 0.0047 0.0714 0.2405
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0823 0.0543
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.1703 0.0206
Schistosoma mansoni jumonji/arid domain-containing protein 0.0116 0.2803 0.6641
Loa Loa (eye worm) hypothetical protein 0.0035 0.0351 0.1112
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0714 0.0431
Loa Loa (eye worm) hypothetical protein 0.003 0.0202 0.0582
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0823 0.0543
Onchocerca volvulus 0.0117 0.2848 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0351 0.0563
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.2165 0.5128
Schistosoma mansoni hypothetical protein 0.0025 0.0039 0.0092
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0351 0.1112
Echinococcus multilocularis chromobox protein 1 0.0084 0.1837 0.3718
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.077 0.1558
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0033 0.0272 0.0551
Loa Loa (eye worm) hypothetical protein 0.0037 0.0405 0.1303
Brugia malayi Heterochromatin protein 1 0.0084 0.1837 0.3459
Brugia malayi Bromodomain containing protein 0.0091 0.2032 0.3871
Schistosoma mansoni jumonji domain containing protein 0.003 0.0202 0.0479
Brugia malayi jmjC domain containing protein 0.0116 0.2803 0.5495
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0351 0.0711
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.06 0.1214
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0683 0.1383
Loa Loa (eye worm) hypothetical protein 0.0094 0.215 0.7515
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0186 0.494 1
Onchocerca volvulus Putative endochitinase 0.0074 0.1528 0.4714
Echinococcus granulosus JmjC domain containing protein 4 0.003 0.0202 0.041
Echinococcus multilocularis jumonji domain containing 1A 0.003 0.0202 0.041
Echinococcus multilocularis JmjC domain containing protein 4 0.003 0.0202 0.041
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0117 0.2848 0.5764
Loa Loa (eye worm) hypothetical protein 0.0063 0.1197 0.4124
Schistosoma mansoni phosphatidylserine receptor 0.003 0.0202 0.0479
Brugia malayi Endochitinase 0.0083 0.1799 0.3379
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.1703 0.7647
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0095 0.2165 1
Schistosoma mansoni chromobox protein 0.0084 0.1837 0.4352
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0823 0.189
Onchocerca volvulus Putative endochitinase 0.0083 0.1799 0.5799
Entamoeba histolytica hypothetical protein 0.0095 0.2165 0.0751
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1471 0.2978
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1703 0.7647
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.4518 1
Brugia malayi endochitinase 0.0083 0.1799 0.3379
Brugia malayi Bromodomain containing protein 0.0046 0.0687 0.1035
Echinococcus granulosus jumonji domain containing 1A 0.003 0.0202 0.041
Onchocerca volvulus Putative endochitinase 0.0083 0.1799 0.5799
Entamoeba histolytica protein kinase, putative 0.0095 0.2165 0.0751
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.1837 0.6402
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0095 0.2165 1
Brugia malayi Protein kinase domain containing protein 0.0095 0.2165 0.415
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1837 0.1588
Schistosoma mansoni phd/f-box containing protein 0.003 0.0202 0.0479
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0095 0.2165 0.7568
Brugia malayi chromobox protein homolog 3 0.0047 0.0714 0.1093
Schistosoma mansoni protein phosphatase 2C 0.003 0.0202 0.0479
Schistosoma mansoni hypothetical protein 0.0117 0.2848 0.6747
Schistosoma mansoni hypothetical protein 0.0035 0.0351 0.0832
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.149 0.5165
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0351 0.0711
Brugia malayi Bromodomain containing protein 0.0038 0.0438 0.0511
Loa Loa (eye worm) hypothetical protein 0.0079 0.169 0.5879
Loa Loa (eye worm) jmjC domain-containing protein 0.0116 0.2803 0.9841
Loa Loa (eye worm) hypothetical protein 0.0117 0.2848 1
Loa Loa (eye worm) chitinase I 0.0074 0.1528 0.5302
Brugia malayi PHD-finger family protein 0.0035 0.0351 0.0328
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0714 0.1454
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0117 0.2848 0.559
Schistosoma mansoni bromodomain containing protein 0.0076 0.1603 0.3797
Plasmodium vivax hypothetical protein, conserved 0.0117 0.2848 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.2848 1
Echinococcus granulosus phd:f box containing protein 0.003 0.0202 0.041
Loa Loa (eye worm) hypothetical protein 0.003 0.0202 0.0582
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0095 0.2165 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.077 0.1558
Entamoeba histolytica protein kinase, putative 0.0095 0.2165 0.0751
Echinococcus multilocularis dual specificity 0.0095 0.2165 0.4381
Loa Loa (eye worm) hypothetical protein 0.0046 0.0689 0.2315
Onchocerca volvulus 0.0117 0.2848 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0351 0.0832
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.003 0.0202 0.0479
Echinococcus granulosus lysine specific demethylase 6a 0.003 0.0202 0.041
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1471 0.2978
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0109 0.0258
Plasmodium falciparum phd finger protein, putative 0.0035 0.0351 0.0563
Entamoeba histolytica protein kinase domain containing protein 0.0095 0.2165 0.0751
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0714 0.0431
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.1703 0.5924
Loa Loa (eye worm) hypothetical protein 0.0049 0.0776 0.2625
Loa Loa (eye worm) hypothetical protein 0.0052 0.0846 0.2874
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.1703 0.3177
Echinococcus granulosus chromobox protein 1 0.0084 0.1837 0.3718
Echinococcus multilocularis lysine specific demethylase 5A 0.0114 0.2733 0.5532
Echinococcus granulosus peregrin 0.0038 0.0438 0.0887
Echinococcus granulosus chromobox protein 1 0.0084 0.1837 0.3718
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0117 0.2848 0.5764
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0683 0.1383
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.1703 0.4034
Brugia malayi endochitinase 0.0074 0.1528 0.2808
Echinococcus multilocularis lysine specific demethylase 6a 0.003 0.0202 0.041
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1837 0.1588
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0186 0.494 1
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0202 0.0582
Brugia malayi jmjC domain containing protein 0.003 0.0202 0.0014
Toxoplasma gondii hypothetical protein 0.0117 0.2848 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1703 0.7647
Echinococcus multilocularis peregrin 0.0038 0.0438 0.0887

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.
 
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.