Detailed information for compound 820385

Basic information

Technical information
  • TDR Targets ID: 820385
  • Name: ethyl 1-(5-bromopyridine-3-carbonyl)-2-oxo-4- phenylpyrrolidine-3-carboxylate
  • MW: 417.253 | Formula: C19H17BrN2O4
  • H donors: 0 H acceptors: 4 LogP: 2.73 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1C(CN(C1=O)C(=O)c1cncc(c1)Br)c1ccccc1
  • InChi: 1S/C19H17BrN2O4/c1-2-26-19(25)16-15(12-6-4-3-5-7-12)11-22(18(16)24)17(23)13-8-14(20)10-21-9-13/h3-10,15-16H,2,11H2,1H3
  • InChiKey: XGAWPSQQLXFFLT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 1-(5-bromopyridine-3-carbonyl)-2-oxo-4-phenyl-pyrrolidine-3-carboxylate
  • 1-[(5-bromo-3-pyridyl)-oxomethyl]-2-oxo-4-phenyl-3-pyrrolidinecarboxylic acid ethyl ester
  • 1-(5-bromopyridine-3-carbonyl)-2-keto-4-phenyl-pyrrolidine-3-carboxylic acid ethyl ester
  • ethyl 1-(5-bromopyridin-3-yl)carbonyl-2-oxo-4-phenyl-pyrrolidine-3-carboxylate
  • Oprea1_273980
  • MLS000104879
  • SMR000054811
  • ST000102
  • BIM-0015212.P001
  • BAS 01088765
  • CBMicro_015157
  • Oprea1_471620

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Theileria parva hypothetical protein 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum hypothetical protein 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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
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
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi exodeoxyribonuclease III family protein 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
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 CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus jumonji 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, 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
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 Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni ap endonuclease 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
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_129545 All targets in OG5_129545
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus Transcription factor JmjC domain containing 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
Toxoplasma gondii exonuclease III APE 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 multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Onchocerca volvulus 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
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
Loa Loa (eye worm) heterochromatin 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
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
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis chromobox 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
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
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis 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 mansoni chromobox protein 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Ribose-phosphate pyrophosphokinase, putative 0.0042 0.0864 0.0751
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0042 0.0864 0.0864
Trichomonas vaginalis ribose-phosphate pyrophosphokinase, putative 0.0042 0.0864 0.0751
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0644 0.0644
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0304 0.0372
Leishmania major GTP-binding protein, putative 0.0024 0.0304 0.0074
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.067 0.0412
Schistosoma mansoni hypothetical protein 0.0035 0.0644 0.0386
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.0139 0.3766 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0304 0.0074
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0182 0.5043 0.5043
Onchocerca volvulus Alhambra homolog 0.0035 0.0644 0.0787
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0182 0.5043 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0182 0.5043 1
Onchocerca volvulus 0.0182 0.5043 0.6161
Onchocerca volvulus 0.005 0.1084 0.1324
Schistosoma mansoni ran 0.0024 0.0304 0.0036
Brugia malayi PHD-finger family protein 0.0035 0.0644 0.0851
Mycobacterium tuberculosis Adenine phosphoribosyltransferase Apt (APRT) (AMP diphosphorylase) (AMP pyrophosphorylase) (transphosphoribosidase) 0.0042 0.0864 0.1701
Trichomonas vaginalis ran, putative 0.0024 0.0304 0.0044
Giardia lamblia Guanine phosphoribosyltransferase 0.0182 0.5043 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.067 0.0412
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3016 0.3469
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0304 0.0074
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3016 0.3469
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0304 0.0074
Loa Loa (eye worm) hypothetical protein 0.0037 0.0698 0.0441
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.1112 0.1358
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7142 0.7063
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0867 0.0867
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3016 0.5753
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0304 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.059 0.0406
Plasmodium vivax importin-beta 2, putative 0.0032 0.0562 0.0613
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0182 0.5043 0.5043
Plasmodium falciparum importin beta, putative 0.0032 0.0562 0.0613
Echinococcus granulosus peregrin 0.0035 0.0644 0.0644
Schistosoma mansoni jumonji domain containing protein 0.0092 0.234 0.2129
Mycobacterium tuberculosis Conserved protein 0.0042 0.0864 0.1701
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0042 0.0864 0.1246
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0042 0.0864 0.0611
Echinococcus multilocularis snurportin 1 0.0346 1 1
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0562 0.0562
Schistosoma mansoni kinase 0.0058 0.1329 0.1089
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.059 0.0406
Loa Loa (eye worm) hypothetical protein 0.006 0.1401 0.1163
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0644 0.0386
Brugia malayi Importin beta-1 subunit 0.0032 0.0562 0.0734
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0269 0.0269
Mycobacterium tuberculosis Probable pyrimidine operon regulatory protein PyrR 0.0042 0.0864 0.1701
Schistosoma mansoni ran 0.0024 0.0304 0.0036
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.3016 0.419
Treponema pallidum hypothetical protein 0.0042 0.0864 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0182 0.5043 1
Brugia malayi jmjC domain containing protein 0.0115 0.3053 0.4242
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0644 0.0644
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.3016 0.3016
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8186 1
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.0182 0.5043 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.1004 0.0755
Brugia malayi chromobox protein homolog 3 0.0047 0.1004 0.1357
Brugia malayi Heterochromatin protein 1 0.0084 0.2116 0.2922
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1004 0.0928
Plasmodium vivax orotate phosphoribosyltransferase, putative 0.0042 0.0864 0.1246
Echinococcus multilocularis chromobox protein 1 0.0084 0.2116 0.2116
Loa Loa (eye worm) hypothetical protein 0.0036 0.067 0.0412
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0042 0.0864 0.0611
Trypanosoma brucei orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0042 0.0864 0.1246
Echinococcus granulosus uridine 5' monophosphate synthase 0.0042 0.0864 0.0864
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0182 0.5043 0.5043
Plasmodium falciparum orotate phosphoribosyltransferase 0.0042 0.0864 0.1246
Plasmodium vivax SET domain protein, putative 0.0036 0.067 0.084
Echinococcus granulosus importin subunit beta 1 0.0032 0.0562 0.0562
Mycobacterium ulcerans orotate phosphoribosyltransferase 0.0042 0.0864 0.1246
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0304 0.0074
Schistosoma mansoni uracil phosphoribosyltransferase 0.0042 0.0864 0.0611
Toxoplasma gondii orotate phosphoribosyltransferase 0.0042 0.0864 0.1246
Loa Loa (eye worm) adenine phosphoribosyltransferase 0.0042 0.0864 0.0611
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1112 0.1064
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2116 0.2333
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2116 0.2333
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0867 0.0615
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1284 0.1282
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0377 0.0137
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.0182 0.5043 1
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0562 0.0613
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0042 0.0864 0.1246
Mycobacterium ulcerans bifunctional pyrimidine regulatory protein PyrR/uracil phosphoribosyltransferase 0.0042 0.0864 0.1246
Schistosoma mansoni importin beta-1 0.0032 0.0562 0.0301
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.3053 0.3053
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0042 0.0864 0.0611
Mycobacterium ulcerans hypothetical protein 0.0042 0.0864 0.1246
Leishmania major importin beta-1 subunit, putative 0.0026 0.0377 0.0227
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3016 0.3469
Mycobacterium tuberculosis Probable orotate phosphoribosyltransferase PyrE (OPRT) (oprtase) 0.0042 0.0864 0.1701
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0042 0.0864 0.1246
Onchocerca volvulus 0.0037 0.0698 0.0852
Mycobacterium ulcerans adenine phosphoribosyltransferase 0.0042 0.0864 0.1246
Schistosoma mansoni hypothetical protein 0.0346 1 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0304 0.0074
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0042 0.0864 0.0611
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.3016 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0182 0.5043 0.4907
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.3016 0.2823
Entamoeba histolytica hypothetical protein 0.0026 0.0377 0.0394
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0042 0.0864 0.0611
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.0139 0.3766 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0644 0.0787
Mycobacterium tuberculosis Amidophosphoribosyltransferase PurF (glutamine phosphoribosylpyrophosphate amidotransferase) (ATASE) (gpatase) 0.0042 0.0864 0.1701
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0042 0.0864 0.1246
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.0182 0.5043 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0304 0.0304
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.067 0.0412
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0269 0.0269
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0304 0.0074
Echinococcus granulosus chromobox protein 1 0.0084 0.2116 0.2116
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.067 0.067
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3016 0.3469
Giardia lamblia Adenine phosphoribosyltransferase 0.0042 0.0864 0.1246
Wolbachia endosymbiont of Brugia malayi amidophosphoribosyltransferase 0.0042 0.0864 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0377 0.0137
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.0182 0.5043 1
Plasmodium falciparum phd finger protein, putative 0.0035 0.0644 0.0787
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0182 0.5043 0.5043
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1004 0.0928
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0042 0.0864 0.1246
Brugia malayi RNA, U transporter 1 0.0092 0.236 0.3267
Brugia malayi Pre-SET motif family protein 0.0251 0.7142 1
Leishmania major xanthine phosphoribosyltransferase 0.0182 0.5043 1
Schistosoma mansoni chromobox protein 0.0084 0.2116 0.1898
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0346 1 1
Brugia malayi Bromodomain containing protein 0.0035 0.0644 0.0851
Brugia malayi Pre-SET motif family protein 0.0036 0.067 0.0887
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0042 0.0864 0.1246
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3016 0.5753
Mycobacterium tuberculosis Conserved protein 0.0042 0.0864 0.1701
Leishmania major orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative 0.0042 0.0864 0.1246
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.1004 0.1226
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.0182 0.5043 1
Giardia lamblia PHD finger protein 15 0.0035 0.0644 0.0787
Brugia malayi orotate phosphoribosyltransferase family protein 0.0042 0.0864 0.116
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0304 0.0304
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.0182 0.5043 0.6031
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1284 0.1282
Echinococcus multilocularis chromobox protein 1 0.0084 0.2116 0.2116
Trypanosoma brucei polo-like protein kinase 0.0114 0.3016 0.5753
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0182 0.5043 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1112 0.1064
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0377 0.0227
Loa Loa (eye worm) hypothetical protein 0.0035 0.0644 0.0386
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0182 0.5043 1
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.0182 0.5043 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3016 0.3469
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0644 0.0787
Leishmania major adenine phosphoribosyltransferase 0.0042 0.0864 0.1246
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.3016 0.2823
Brugia malayi Phosphoribosyl transferase domain containing protein 0.0182 0.5043 0.7045
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.063 0.063
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0644 0.0787
Treponema pallidum phosphoribosylpyrophosphate synthetase 0.0042 0.0864 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0182 0.5043 1
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0042 0.0864 0.0611
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3016 0.3469
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0269 0.0322
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0377 0.0137
Entamoeba histolytica Ran family GTPase 0.0024 0.0304 0.0128
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.067 0.084
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.3016 0.3016
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1772 0.1544
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0867 0.0615
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.1084 0.0838
Brugia malayi Adenine phosphoribosyltransferase 0.0042 0.0864 0.116
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.2116 0.1898
Giardia lamblia Kinase, PLK 0.0114 0.3016 0.5753
Wolbachia endosymbiont of Brugia malayi orotate phosphoribosyltransferase 0.0042 0.0864 1
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0867 0.0867
Onchocerca volvulus 0.0286 0.8186 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.3016 0.5753
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0182 0.5043 0.4907
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1059 0.1059
Treponema pallidum adenine phosphoribosyltransferase 0.0042 0.0864 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.067 0.067
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.3016 0.3684
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.3053 0.3053
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0042 0.0864 0.1246
Mycobacterium ulcerans amidophosphoribosyltransferase 0.0042 0.0864 0.1246
Brugia malayi jmjC domain containing protein 0.0043 0.0867 0.1165
Echinococcus multilocularis peregrin 0.0035 0.0644 0.0644
Loa Loa (eye worm) hypothetical protein 0.0032 0.0562 0.0301
Schistosoma mansoni chromobox protein 0.0084 0.2116 0.1898
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3016 0.3469
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0304 0.0074
Mycobacterium tuberculosis Conserved hypothetical protein 0.0042 0.0864 0.1701
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0562 0.0613
Onchocerca volvulus Adenine phosphoribosyltransferase homolog 0.0042 0.0864 0.1055
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0042 0.0864 0.1246
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1059 0.1059
Echinococcus granulosus adenine phosphoribosyltransferase 0.0042 0.0864 0.0864
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.067 0.067
Echinococcus multilocularis adenine phosphoribosyltransferase 0.0042 0.0864 0.0864
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0644 0.0386
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0562 0.0613
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0867 0.0615
Echinococcus granulosus chromobox protein 1 0.0084 0.2116 0.2116

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0009 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.9935 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 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) 5.0119 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 7.0795 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) 17.7828 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) 28.1838 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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