Detailed information for compound 1068802

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 396.354 | Formula: C19H16N4O6
  • H donors: 0 H acceptors: 5 LogP: 3.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1cccc(c1)c1ccc(cc1)CO[C@@H]1COc2n(C1)cc(n2)[N+](=O)[O-]
  • InChi: 1S/C19H16N4O6/c24-22(25)16-3-1-2-15(8-16)14-6-4-13(5-7-14)11-28-17-9-21-10-18(23(26)27)20-19(21)29-12-17/h1-8,10,17H,9,11-12H2/t17-/m0/s1
  • InChiKey: VEVNHOJKQQQDDN-KRWDZBQOSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.01 0.0326
Onchocerca volvulus 0.0037 0.0103 0.0096
Echinococcus multilocularis lamin 0.003 0.0077 0.0099
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0013 0.0007 0.0176
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0013 0.0007 0.0176
Onchocerca volvulus Pyruvate kinase homolog 0.0114 0.0413 0.0406
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0013 0.0007 0.0024
Brugia malayi exodeoxyribonuclease III family protein 0.0065 0.0214 0.0207
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0103 0.0325
Trypanosoma brucei polo-like protein kinase 0.0106 0.0381 0.1249
Schistosoma mansoni zinc finger protein 0.0037 0.0103 0.0325
Trypanosoma brucei DNA-(apurinic or apyrimidinic site) lyase, putative 0.0013 0.0007 0.0024
Echinococcus granulosus expressed protein 0.0037 0.0103 0.0325
Loa Loa (eye worm) hypothetical protein 0.0037 0.0103 0.0096
Brugia malayi hypothetical protein 0.0139 0.0512 0.0505
Brugia malayi pyruvate kinase 0.0024 0.0052 0.0044
Brugia malayi nuclear receptor NHR-67 0.0037 0.0103 0.0096
Schistosoma mansoni hypothetical protein 0.0397 0.1543 0.5211
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1689 0.6718 0.6715
Schistosoma mansoni intermediate filament proteins 0.003 0.0077 0.0236
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0065 0.0214 1
Onchocerca volvulus Pyruvate kinase homolog 0.0114 0.0413 0.0406
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0078 0.0269 0.0262
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0078 0.0269 0.0888
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0106 0.0381 0.1268
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0078 0.0269 0.0888
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.0381 0.0374
Echinococcus granulosus Nuclear hormone receptor HR96 0.0037 0.0103 0.0325
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0115 0.0107
Loa Loa (eye worm) hypothetical protein 0.0041 0.0121 0.0114
Brugia malayi Pyruvate kinase, M2 isozyme 0.0114 0.0413 0.0406
Brugia malayi conserved hypotetical protein 0.0037 0.0103 0.0096
Echinococcus granulosus geminin 0.0397 0.1543 0.5211
Treponema pallidum exodeoxyribonuclease (exoA) 0.0065 0.0214 0.0308
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.1689 0.6718 0.6715
Brugia malayi ecdysone receptor 0.0037 0.0103 0.0096
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0121 0.0114
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0103 0.0096
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0115 0.0156
Echinococcus granulosus pyruvate kinase 0.0059 0.019 0.0621
Echinococcus multilocularis pyruvate kinase 0.0114 0.0413 0.0576
Loa Loa (eye worm) hypothetical protein 0.0037 0.0103 0.0096
Brugia malayi beta-lactamase 0.004 0.0115 0.0107
Schistosoma mansoni hypothetical protein 0.0157 0.0585 0.1959
Brugia malayi hypothetical protein 0.0041 0.0121 0.0114
Brugia malayi beta-lactamase family protein 0.004 0.0115 0.0107
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0106 0.0381 0.053
Echinococcus granulosus lamin 0.003 0.0077 0.0236
Schistosoma mansoni ap endonuclease 0.0065 0.0214 0.0701
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0065 0.0214 0.0207
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0115 0.0375
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0037 0.0103 0.0096
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0065 0.0214 0.0701
Trypanosoma brucei inositol-1,4,5-trisphosphate (IP3) 5-phosphatase, putative 0.0013 0.0007 0.0024
Trypanosoma brucei RNA editing exonuclease 2 0.0013 0.0007 0.0024
Trypanosoma cruzi polo-like protein kinase, putative 0.0106 0.0381 0.1249
Schistosoma mansoni hypothetical protein 0.0018 0.0028 0.0069
Schistosoma mansoni nuclear receptor 0.0037 0.0103 0.0325
Brugia malayi nuclear receptor RXR 0.0037 0.0103 0.0096
Plasmodium vivax pyruvate kinase, putative 0.0114 0.0413 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0112 0.0105
Brugia malayi photoreceptor-specific nuclear receptor 0.0078 0.0269 0.0262
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0115 0.0364
Loa Loa (eye worm) hypothetical protein 0.0078 0.0269 0.0262
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0028 0.0069
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0078 0.0269 0.0262
Brugia malayi ecdysteroid receptor 0.0078 0.0269 0.0262
Loa Loa (eye worm) hypothetical protein 0.008 0.0275 0.0267
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.0187 0.0608
Loa Loa (eye worm) hypothetical protein 0.0139 0.0512 0.0505
Onchocerca volvulus 0.0078 0.0269 0.0262
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0825 0.3259 0.4715
Trypanosoma cruzi RNA-editing complex protein MP100, putative 0.0013 0.0007 0.0024
Mycobacterium tuberculosis Conserved protein 0.004 0.0115 0.0156
Schistosoma mansoni transcription factor btf3 0.0074 0.0251 0.0826
Trypanosoma brucei Inositol phosphosphingolipids phospholipase C 0.0013 0.0007 0.0024
Echinococcus multilocularis pyruvate kinase 0.0114 0.0413 0.0576
Mycobacterium ulcerans pyruvate kinase 0.0114 0.0413 0.0302
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.0167 0.016
Echinococcus granulosus thyroid hormone receptor alpha 0.0037 0.0103 0.0325
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0078 0.0269 0.0888
Leishmania major hypothetical protein, conserved 0.0774 0.3051 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0078 0.0269 0.0262
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1689 0.6718 0.6715
Echinococcus granulosus pyruvate kinase 0.0059 0.019 0.0621
Echinococcus granulosus FTZ F1 alpha 0.0078 0.0269 0.0888
Toxoplasma gondii ABC1 family protein 0.004 0.0115 0.2772
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0065 0.0214 0.0207
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0037 0.0103 0.0096
Leishmania major basic transcription factor 3a, putative 0.0074 0.0251 0.0821
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0115 0.0107
Echinococcus granulosus lamin dm0 0.003 0.0077 0.0236
Echinococcus granulosus intermediate filament protein 0.003 0.0077 0.0236
Loa Loa (eye worm) hypothetical protein 0.003 0.0077 0.007
Entamoeba histolytica serine/threonine protein kinase, putative 0.0106 0.0381 0.0374
Giardia lamblia Pyruvate kinase 0.0059 0.019 0.0183
Schistosoma mansoni hypothetical protein 0.0039 0.0112 0.0355
Echinococcus multilocularis expressed protein 0.0037 0.0103 0.0136
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1689 0.6718 0.6715
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.1736 0.6904 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0103 0.0096
Trypanosoma brucei pyruvate kinase 1 0.0114 0.0413 0.1354
Leishmania major inositol phosphosphingolipid phospholipase C-Like 0.0013 0.0007 0.0024
Loa Loa (eye worm) intermediate filament protein 0.003 0.0077 0.007
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 0.0228 0.0746
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0251 0.0244
Toxoplasma gondii pyruvate kinase PyK1 0.0114 0.0413 1
Trichomonas vaginalis pyruvate kinase, putative 0.0114 0.0413 0.0406
Loa Loa (eye worm) hypothetical protein 0.0041 0.0121 0.0114
Loa Loa (eye worm) hypothetical protein 0.004 0.0115 0.0107
Echinococcus granulosus mitogen activated protein kinase 3 0.0058 0.0187 0.0608
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0078 0.0269 0.0888
Loa Loa (eye worm) hypothetical protein 0.0037 0.0103 0.0096
Trichomonas vaginalis rotamase, putative 0.0037 0.0103 0.0096
Loa Loa (eye worm) hypothetical protein 0.0037 0.0103 0.0096
Loa Loa (eye worm) hypothetical protein 0.0078 0.0269 0.0262
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0774 0.3051 0.3046
Entamoeba histolytica hypothetical protein 0.0157 0.0585 0.0578
Trypanosoma brucei inositol/phosphatidylinositol phosphatase, putative 0.0013 0.0007 0.0024
Loa Loa (eye worm) hypothetical protein 0.0037 0.0103 0.0096
Onchocerca volvulus 0.003 0.0077 0.007
Brugia malayi beta-NAC-like protein 0.0074 0.0251 0.0244
Entamoeba histolytica hypothetical protein 0.0074 0.0251 0.0244
Schistosoma mansoni steroid hormone receptor ad4bp 0.0078 0.0269 0.0888
Echinococcus multilocularis transcription factor btf3 0.0074 0.0251 0.0345
Loa Loa (eye worm) hypothetical protein 0.004 0.0115 0.0107
Loa Loa (eye worm) hypothetical protein 0.0037 0.0103 0.0096
Trypanosoma brucei protein kinase, putative 0.0058 0.0187 0.0611
Entamoeba histolytica hypothetical protein 0.0157 0.0585 0.0578
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0065 0.0214 0.0701
Loa Loa (eye worm) hypothetical protein 0.004 0.0115 0.0107
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0037 0.0103 0.0325
Loa Loa (eye worm) pyruvate kinase 0.0114 0.0413 0.0406
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0078 0.0269 0.0888
Toxoplasma gondii peptidylprolyl isomerase 0.0036 0.01 0.2408
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 0.0228 0.0319
Loa Loa (eye worm) hypothetical protein 0.0015 0.0014 0.0007
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0106 0.0381 0.1249
Trypanosoma cruzi transcription factor btf3, putative 0.0074 0.0251 0.0821
Trypanosoma cruzi mitochondrial protein 99, putative 0.0013 0.0007 0.0024
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0825 0.3259 0.318
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1689 0.6718 0.6715
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.0381 0.1268
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0106 0.0381 0.0374
Trypanosoma cruzi polo-like protein kinase, putative 0.0106 0.0381 0.1249
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0115 0.0156
Onchocerca volvulus Protein ultraspiracle homolog 0.0078 0.0269 0.0262
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0187 0.0179
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0058 0.0187 0.0611
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0065 0.0214 0.0701
Loa Loa (eye worm) hypothetical protein 0.0037 0.0103 0.0096
Echinococcus multilocularis mitogen activated protein kinase 3 0.0058 0.0187 0.0254
Plasmodium vivax basic transcription factor 3b, putative 0.0074 0.0251 0.5995
Echinococcus granulosus GPCR family 2 0.0018 0.0028 0.0069
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0065 0.0214 0.0701
Echinococcus granulosus nuclear receptor nhr 48 0.0037 0.0103 0.0325
Schistosoma mansoni pyruvate kinase 0.0114 0.0413 0.1377
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0078 0.0269 0.0371
Trypanosoma cruzi hypothetical protein, conserved 0.0774 0.3051 1
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0013 0.0007 0.0024
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0157 0.0585 0.1959
Giardia lamblia Pyruvate kinase 0.0114 0.0413 0.0406
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0078 0.0269 0.0262
Leishmania major pantothenate kinase subunit, putative 0.0013 0.0007 0.0024
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0058 0.0187 0.0611
Trypanosoma brucei pyruvate kinase 1, putative 0.0114 0.0413 0.1354
Entamoeba histolytica transcription factor BTF3, putative 0.0074 0.0251 0.0244
Schistosoma mansoni retinoic acid receptor RXR 0.0078 0.0269 0.0888
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0013 0.0007 0.0024
Echinococcus multilocularis pyruvate kinase 0.0059 0.019 0.0259
Leishmania major endonuclease/exonuclease protein-like protein 0.0013 0.0007 0.0024
Onchocerca volvulus 0.003 0.0077 0.007
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.0187 0.0611
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0078 0.0269 0.0262
Trypanosoma cruzi transcription factor btf3, putative 0.0074 0.0251 0.0821
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0013 0.0007 0.0024
Brugia malayi Nuclear hormone receptor E75 0.0037 0.0103 0.0096
Onchocerca volvulus 0.004 0.0115 0.0107
Schistosoma mansoni hypothetical protein 0.0462 0.1803 0.6092
Loa Loa (eye worm) hypothetical protein 0.0078 0.0269 0.0262
Trichomonas vaginalis esterase, putative 0.004 0.0115 0.0107
Trichomonas vaginalis ap endonuclease, putative 0.0065 0.0214 0.0207
Loa Loa (eye worm) hypothetical protein 0.0037 0.0103 0.0096
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.0381 0.0374
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1689 0.6718 0.6715
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0157 0.0585 0.0819
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0041 0.0121 0.0386
Loa Loa (eye worm) hypothetical protein 0.0014 0.0012 0.0004
Brugia malayi hypothetical protein 0.0041 0.0121 0.0114
Giardia lamblia Kinase, CMGC MAPK 0.0058 0.0187 0.0179
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0228 0.0114
Onchocerca volvulus 0.004 0.0115 0.0107
Loa Loa (eye worm) hypothetical protein 0.0041 0.0121 0.0114
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0228 0.0114
Mycobacterium tuberculosis Conserved protein 0.004 0.0115 0.0156
Loa Loa (eye worm) hypothetical protein 0.0078 0.0269 0.0262
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0078 0.0269 0.0888
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0013 0.0007 0.0176
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0013 0.0007 0.0176
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0065 0.0214 0.0701
Brugia malayi nuclear hormone receptor family member nhr-6 0.0037 0.0103 0.0096
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0103 0.0325
Onchocerca volvulus Bile acid receptor homolog 0.0078 0.0269 0.0262
Plasmodium falciparum pyruvate kinase 2 0.0059 0.019 0.4506
Echinococcus granulosus mitogen activated protein kinase 0.0058 0.0187 0.0608
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0058 0.0187 0.0179
Brugia malayi orphan nuclear receptor NR2E1 0.0037 0.0103 0.0096
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0078 0.0269 0.0262
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0228 0.0747
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0115 0.0156
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0041 0.0121 0.0386
Brugia malayi Steroid receptor seven-up type 2 0.0078 0.0269 0.0262
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0058 0.0187 0.0611
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0078 0.0269 0.0888
Echinococcus granulosus microtubule associated protein 2 0.0749 0.2955 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0185 0.0178
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0078 0.0269 0.0262
Brugia malayi CXXC zinc finger family protein 0.0032 0.0085 0.0078
Loa Loa (eye worm) hypothetical protein 0.0139 0.0512 0.0505
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0037 0.0103 0.0096
Toxoplasma gondii exonuclease III APE 0.0065 0.0214 0.5176
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0078 0.0269 0.0888
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0065 0.0214 0.509
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1775 0.7061 1
Onchocerca volvulus Huntingtin homolog 0.0139 0.0512 0.0505
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0036 0.01 0.0092
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.023 0.0756
Schistosoma mansoni nuclear hormone receptor 0.0078 0.0269 0.0888
Toxoplasma gondii NAC domain-containing protein 0.0074 0.0251 0.6066
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0035 0.0094 0.0086
Loa Loa (eye worm) hypothetical protein 0.003 0.0075 0.0067
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0078 0.0269 0.0262
Loa Loa (eye worm) hypothetical protein 0.0114 0.0413 0.0406
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0013 0.0007 0.0176
Brugia malayi Nuclear hormone receptor E75 0.0037 0.0103 0.0096
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.002 0.0013
Brugia malayi nuclear hormone receptor 0.0078 0.0269 0.0262
Loa Loa (eye worm) hypothetical protein 0.004 0.0115 0.0107
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0078 0.0269 0.0262
Brugia malayi steroid hormone receptor 0.0078 0.0269 0.0262
Echinococcus granulosus dnaJ subfamily B 0.0462 0.1803 0.6092
Schistosoma mansoni lamin 0.003 0.0077 0.0236
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.0103 0.0325
Brugia malayi beta-lactamase family protein 0.004 0.0115 0.0107
Brugia malayi serine/threonine-protein kinase plk-2 0.0106 0.0381 0.0374
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.0228 0.0312
Loa Loa (eye worm) nuclear hormone receptor 0.0037 0.0103 0.0096
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0078 0.0269 0.0371
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0028 0.0069
Loa Loa (eye worm) hypothetical protein 0.0078 0.0269 0.0262
Brugia malayi intermediate filament protein 0.003 0.0077 0.007
Echinococcus multilocularis FTZ F1 alpha 0.0078 0.0269 0.0371
Onchocerca volvulus Pyruvate kinase homolog 0.0114 0.0413 0.0406
Loa Loa (eye worm) pyruvate kinase 0.0024 0.0052 0.0044
Plasmodium falciparum pyruvate kinase 0.0114 0.0413 1
Echinococcus multilocularis pyruvate kinase 0.009 0.0317 0.0439
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.01 0.0326
Trypanosoma cruzi inositol 5-phosphatase 1, putative 0.0013 0.0007 0.0024
Echinococcus multilocularis ecdysone induced protein 78C 0.0078 0.0269 0.0371
Brugia malayi hypothetical protein 0.0037 0.0103 0.0096
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0036 0.01 0.0326
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0036 0.01 0.0326
Onchocerca volvulus 0.004 0.0115 0.0107
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0115 0.0156
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1689 0.6718 0.6715
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0078 0.0269 0.0371
Schistosoma mansoni ap endonuclease 0.0065 0.0214 0.0701
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0077 0.007
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0037 0.0103 0.0096
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0187 0.0179
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0013 0.0007 0.0024
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0228 0.0114
Onchocerca volvulus 0.0032 0.0085 0.0078
Schistosoma mansoni thyroid hormone receptor 0.0078 0.0269 0.0888
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0185 0.0178
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0041 0.0121 0.0161
Echinococcus granulosus transcription factor btf3 0.0074 0.0251 0.0826
Echinococcus multilocularis nuclear receptor nhr 48 0.0037 0.0103 0.0136
Brugia malayi nuclear receptor NHR-88 0.0037 0.0103 0.0096
Loa Loa (eye worm) hypothetical protein 0.0018 0.0028 0.002
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.0381 0.0374
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.1689 0.6718 0.6715
Schistosoma mansoni hypothetical protein 0.0397 0.1543 0.5211
Brugia malayi pyruvate kinase, muscle isozyme 0.0024 0.0052 0.0044
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.002 0.0013
Schistosoma mansoni nuclear receptor nhr-48 0.0037 0.0103 0.0325
Brugia malayi Nuclear hormone receptor-like 1 0.0078 0.0269 0.0262
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0078 0.0269 0.0371
Schistosoma mansoni pyruvate kinase 0.0059 0.019 0.0621
Schistosoma mansoni cpg binding protein 0.0034 0.0092 0.0288
Trypanosoma cruzi mitochondrial protein 99, putative 0.0013 0.0007 0.0024
Plasmodium falciparum basic transcription factor 3b, putative 0.0074 0.0251 0.5995
Leishmania major RNA-editing complex protein MP100, putative 0.0013 0.0007 0.0024
Loa Loa (eye worm) hypothetical protein 0.0078 0.0269 0.0262
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.0228 0.0747
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0187 0.0179
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0037 0.0103 0.0096
Schistosoma mansoni hypothetical protein 0.0018 0.0028 0.0069
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.0167 0.016
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0078 0.0269 0.0371
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0013 0.0007 0.0024
Echinococcus granulosus cpg binding protein 0.0034 0.0092 0.0288
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0187 0.0179
Brugia malayi hypothetical protein 0.0037 0.0103 0.0096
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0014 0.0009
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0028 0.0029
Echinococcus multilocularis thyroid hormone receptor alpha 0.0078 0.0269 0.0371
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.0381 0.0374
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0078 0.0269 0.0262
Echinococcus multilocularis musashi 0.003 0.0077 0.0099
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0115 0.0364
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0115 0.0107
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0078 0.0269 0.0888
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0185 0.0178
Loa Loa (eye worm) hypothetical protein 0.0037 0.0103 0.0096
Toxoplasma gondii pyruvate kinase PyKII 0.0059 0.019 0.4603
Echinococcus granulosus pyruvate kinase 0.0059 0.019 0.0621
Leishmania major hypothetical protein, conserved 0.004 0.0115 0.0375
Plasmodium vivax hypothetical protein, conserved 0.004 0.0115 0.2643
Trypanosoma brucei transcription factor BTF3, putative 0.0074 0.0251 0.0821
Loa Loa (eye worm) ICD-1 protein 0.0074 0.0251 0.0244
Loa Loa (eye worm) hypothetical protein 0.0078 0.0269 0.0262
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0251 0.0244
Schistosoma mansoni hypothetical protein 0.0018 0.0028 0.0069
Echinococcus multilocularis mitogen activated protein kinase 0.0058 0.0187 0.0254
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.0381 0.0374
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0078 0.0269 0.0888
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0115 0.0156
Echinococcus granulosus pyruvate kinase 0.0114 0.0413 0.1377
Loa Loa (eye worm) hypothetical protein 0.0078 0.0269 0.0262
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0013 0.0007 0.0176
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0112 0.0105
Brugia malayi MAP kinase sur-1 0.0058 0.0187 0.0179
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.0228 0.5507
Schistosoma mansoni nuclear receptor 0.0037 0.0103 0.0325
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0115 0.0107
Trichomonas vaginalis rotamase, putative 0.0036 0.01 0.0092
Schistosoma mansoni cpg binding protein 0.0032 0.0085 0.0263
Loa Loa (eye worm) steroid hormone receptor 0.0078 0.0269 0.0262
Loa Loa (eye worm) hypothetical protein 0.004 0.0115 0.0107
Loa Loa (eye worm) beta-lactamase 0.004 0.0115 0.0107
Echinococcus multilocularis pyruvate kinase 0.0059 0.019 0.0259
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.0381 0.0374
Leishmania major inositol/phosphatidylinositol phosphatase, putative 0.0013 0.0007 0.0024
Mycobacterium tuberculosis Conserved protein 0.004 0.0115 0.0156
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.0381 0.0374
Entamoeba histolytica hypothetical protein 0.0157 0.0585 0.0578
Onchocerca volvulus Serine\/threonine kinase homolog 0.0106 0.0381 0.0374
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0774 0.3051 0.3046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0078 0.0269 0.0262
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0115 0.0152
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0078 0.0269 0.0371
Plasmodium vivax pyruvate kinase 2, putative 0.0059 0.019 0.4506
Schistosoma mansoni transcription factor LCR-F1 0.0157 0.0585 0.1959
Chlamydia trachomatis pyruvate kinase 0.0114 0.0413 0.5
Loa Loa (eye worm) pyruvate kinase-PB 0.008 0.0275 0.0267
Loa Loa (eye worm) pyruvate kinase 0.0114 0.0413 0.0406
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0037 0.0103 0.0136
Leishmania major pyruvate kinase 0.0114 0.0413 0.1354
Brugia malayi hypothetical protein 0.0157 0.0585 0.0578
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1689 0.6718 0.6715
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.0103 0.0136
Echinococcus granulosus pyruvate kinase 0.0114 0.0413 0.1377
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0041 0.0121 0.0114
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0078 0.0269 0.0262
Echinococcus multilocularis cpg binding protein 0.0034 0.0092 0.012
Loa Loa (eye worm) hypothetical protein 0.0041 0.0121 0.0114
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0013 0.0007 0.0024
Giardia lamblia Kinase, PLK 0.0106 0.0381 0.0374
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0078 0.0269 0.0262
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0077 0.007
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0013 0.0007 0.0176
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0014 0.0022
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0065 0.0214 0.03
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0037 0.0103 0.0325
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0078 0.0269 0.0888
Loa Loa (eye worm) hypothetical protein 0.0041 0.0121 0.0114
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0228 0.0747
Trichomonas vaginalis ap endonuclease, putative 0.0065 0.0214 0.0207
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0037 0.0103 0.0136
Trichomonas vaginalis pyruvate kinase, putative 0.0114 0.0413 0.0406
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0037 0.0103 0.0096
Schistosoma mansoni kinase 0.0054 0.0173 0.0561
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0078 0.0269 0.0262
Echinococcus multilocularis pyruvate kinase 0.0059 0.019 0.0259
Schistosoma mansoni cpg binding protein 0.0034 0.0092 0.0288
Leishmania major hypothetical protein, conserved 0.0013 0.0007 0.0024
Echinococcus multilocularis GPCR, family 2 0.0018 0.0028 0.0029
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0013 0.0007 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0078 0.0269 0.0262
Echinococcus multilocularis geminin 0.0397 0.1543 0.2178
Leishmania major hypothetical protein, conserved 0.0013 0.0007 0.0024
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0115 0.0156
Onchocerca volvulus Huntingtin homolog 0.0139 0.0512 0.0505
Loa Loa (eye worm) hypothetical protein 0.0057 0.0185 0.0178
Loa Loa (eye worm) nuclear receptor NHR-67 0.0037 0.0103 0.0096
Loa Loa (eye worm) pyruvate kinase 0.0114 0.0413 0.0406
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0078 0.0269 0.0262
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0121 0.0114
Trypanosoma cruzi pyruvate kinase 2, putative 0.0114 0.0413 0.1354
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0013 0.0007 0.0024
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0114 0.0413 0.0589
Loa Loa (eye worm) hypothetical protein 0.0014 0.0012 0.0004
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0085 0.0078
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0078 0.0269 0.0262
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0078 0.0269 0.0262
Brugia malayi nuclear receptor RXR 0.0041 0.0121 0.0114
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0058 0.0187 0.0611
Echinococcus multilocularis dnaJ subfamily B 0.0462 0.1803 0.2546
Leishmania major pyruvate kinase 0.0114 0.0413 0.1354
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0115 0.0107
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0115 0.0107
Echinococcus multilocularis microtubule associated protein 2 0.0749 0.2955 0.4179
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.0187 0.0611
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0065 0.0214 0.0293
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0825 0.3259 1
Brugia malayi nuclear receptor NHR-88 0.0078 0.0269 0.0262
Trypanosoma cruzi pyruvate kinase 2, putative 0.0114 0.0413 0.1354
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0115 0.0375
Entamoeba histolytica hypothetical protein 0.0157 0.0585 0.0578
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0037 0.0103 0.0136
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0028 0.0029
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0115 0.0375
Onchocerca volvulus 0.0037 0.0103 0.0096
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0058 0.0187 0.4516
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0037 0.0103 0.0136
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0078 0.0269 0.0262
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0251 0.0244
Brugia malayi nuclear hormone receptor 0.0037 0.0103 0.0096
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0115 0.0156
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0037 0.0103 0.0325
Schistosoma mansoni coup transcription factor 0.0078 0.0269 0.0888
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0115 0.0107
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0774 0.3051 1
Schistosoma mansoni thyroid hormone receptor 0.0078 0.0269 0.0888
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0065 0.0214 0.509
Trypanosoma cruzi Inositol phosphosphingolipids phospholipase C 0.0013 0.0007 0.0024
Schistosoma mansoni pyruvate kinase 0.0114 0.0413 0.1377
Echinococcus granulosus ecdysone induced protein 78C 0.0078 0.0269 0.0888
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0078 0.0269 0.0262
Schistosoma mansoni microtubule-associated protein tau 0.0749 0.2955 1
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0013 0.0007 0.0024
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0065 0.0214 0.0207
Loa Loa (eye worm) hypothetical protein 0.0037 0.0103 0.0096
Brugia malayi Pyruvate kinase, muscle isozyme 0.0114 0.0413 0.0406
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0058 0.0187 0.0611
Schistosoma mansoni rotamase 0.0037 0.0103 0.0325
Loa Loa (eye worm) hypothetical protein 0.004 0.0115 0.0107
Entamoeba histolytica pyruvate kinase, putative 0.008 0.0275 0.0267
Trypanosoma cruzi hypothetical protein, conserved 0.0774 0.3051 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0078 0.0269 0.0888
Loa Loa (eye worm) hypothetical protein 0.0037 0.0103 0.0096
Brugia malayi nuclear hormone receptor family member odr-7 0.0037 0.0103 0.0096
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0013 0.0007 0.0024
Mycobacterium leprae Probable pyruvate kinase PykA 0.0114 0.0413 0.095
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0041 0.0121 0.0386
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0078 0.0269 0.0888
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0028 0.002
Schistosoma mansoni hypothetical protein 0.0018 0.0028 0.0069
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0255 0.0974 0.1402
Schistosoma mansoni lamin 0.003 0.0077 0.0236
Giardia lamblia Fructose-bisphosphate aldolase 0.1689 0.6718 0.6715
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0201 0.486
Loa Loa (eye worm) hypothetical protein 0.0037 0.0103 0.0096
Echinococcus granulosus Nuclear hormone receptor HR96 0.0037 0.0103 0.0325
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0115 0.0364
Leishmania major hypothetical protein, conserved 0.0013 0.0007 0.0024
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0065 0.0214 0.01
Treponema pallidum fructose-bisphosphate aldolase 0.1689 0.6718 1
Trypanosoma cruzi endonuclease/exonuclease/phosphatase, putative 0.0013 0.0007 0.0024
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0028 0.002
Echinococcus multilocularis lamin dm0 0.003 0.0077 0.0099
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1689 0.6718 0.6715
Brugia malayi tailless protein 0.0037 0.0103 0.0096
Loa Loa (eye worm) DR-78 0.0037 0.0103 0.0096
Schistosoma mansoni RAR-like nuclear receptor 0.0078 0.0269 0.0888
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0028 0.002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0078 0.0269 0.0262

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.13 uM Antitubercular activity against Mycobacterium tuberculosis H37Rv in aerobic condition after 7 days by microplate alamar blue assay ChEMBL. 19928920
MIC (functional) = 0.76 uM Antitubercular activity against Mycobacterium tuberculosis H37Rv in anaerobic condition after 7 days by low oxygen recovery assay ChEMBL. 19928920

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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