Detailed information for compound 1016115

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 399.445 | Formula: C23H21N5O2
  • H donors: 2 H acceptors: 3 LogP: 3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)N1CCOCC1)Nc1ccccc1c1nc2c([nH]1)cccn2
  • InChi: 1S/C23H21N5O2/c29-23(16-7-9-17(10-8-16)28-12-14-30-15-13-28)26-19-5-2-1-4-18(19)21-25-20-6-3-11-24-22(20)27-21/h1-11H,12-15H2,(H,26,29)(H,24,25,27)
  • InChiKey: KXCBHWKUBDQTFV-UHFFFAOYSA-N  


Substructure search Similarity search

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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
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0078 0.0277 0.0938
Loa Loa (eye worm) hypothetical protein 0.0037 0.0107 0.01
Brugia malayi Nuclear hormone receptor E75 0.0037 0.0107 0.01
Onchocerca volvulus 0.243 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0078 0.0277 0.0938
Schistosoma mansoni hypothetical protein 0.0017 0.0026 0.0067
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0035 0.0102 0.0095
Trypanosoma cruzi Inositol phosphosphingolipids phospholipase C 0.0012 0.0007 0.0022
Echinococcus granulosus GPCR family 2 0.0017 0.0026 0.0067
Loa Loa (eye worm) intermediate filament protein 0.003 0.0077 0.0071
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0062 0.021 0.0688
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.243 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0062 0.021 0.5139
Loa Loa (eye worm) hypothetical protein 0.0038 0.0113 0.0107
Entamoeba histolytica protein tyrosine phosphatase, putative 0.243 1 1
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0107 0.0348
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0037 0.0107 0.0138
Onchocerca volvulus 0.0031 0.0085 0.0079
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0012 0.0007 0.0022
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0749 0.3052 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0077 0.0071
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0077 0.0071
Brugia malayi nuclear receptor NHR-88 0.0078 0.0277 0.0271
Loa Loa (eye worm) hypothetical protein 0.0041 0.0125 0.0119
Loa Loa (eye worm) hypothetical protein 0.0037 0.0107 0.01
Echinococcus multilocularis transcription factor btf3 0.008 0.0284 0.0383
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0113 0.0107
Schistosoma mansoni hypothetical protein 0.0017 0.0026 0.0067
Loa Loa (eye worm) hypothetical protein 0.0131 0.0499 0.0492
Giardia lamblia Fructose-bisphosphate aldolase 0.1593 0.6542 0.654
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0113 0.0107
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0371 0.0365
Brugia malayi hypothetical protein 0.0131 0.0499 0.0492
Loa Loa (eye worm) hypothetical protein 0.0037 0.0107 0.01
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0107 0.0348
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0056 0.0187 0.0614
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.1593 0.6542 0.654
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0078 0.0277 0.0938
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0078 0.0277 0.0271
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0221 0.5507
Trypanosoma brucei RNA editing exonuclease 2 0.0012 0.0007 0.0022
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0221 0.0725
Loa Loa (eye worm) hypothetical protein 0.0041 0.0125 0.0119
Trypanosoma cruzi polo-like protein kinase, putative 0.0101 0.0371 0.1217
Treponema pallidum fructose-bisphosphate aldolase 0.1593 0.6542 1
Giardia lamblia Kinase, PLK 0.0101 0.0371 0.0365
Onchocerca volvulus Pyruvate kinase homolog 0.0108 0.0402 0.0395
Schistosoma mansoni hypothetical protein 0.0017 0.0026 0.0067
Echinococcus granulosus thyroid hormone receptor alpha 0.0037 0.0107 0.0348
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0113 0.0154
Loa Loa (eye worm) hypothetical protein 0.0037 0.0107 0.01
Brugia malayi conserved hypotetical protein 0.0037 0.0107 0.01
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0056 0.0187 0.0614
Loa Loa (eye worm) hypothetical protein 0.0037 0.0107 0.01
Echinococcus multilocularis FTZ F1 alpha 0.0078 0.0277 0.0373
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0078 0.0277 0.0271
Toxoplasma gondii ABC1 family protein 0.0038 0.0113 0.2818
Loa Loa (eye worm) hypothetical protein 0.0038 0.0113 0.0107
Loa Loa (eye worm) pyruvate kinase 0.0023 0.005 0.0043
Echinococcus multilocularis dnaJ subfamily B 0.0448 0.1806 0.2482
Echinococcus multilocularis nuclear receptor nhr 48 0.0037 0.0107 0.0138
Trypanosoma brucei pyruvate kinase 1 0.0108 0.0402 0.1317
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1593 0.6542 0.654
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0078 0.0277 0.0271
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0221 0.0296
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.0187 0.0614
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0125 0.0119
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0125 0.0119
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1593 0.6542 0.654
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0778 0.3173 0.3095
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0056 0.0187 0.0614
Loa Loa (eye worm) hypothetical protein 0.0054 0.0179 0.0173
Schistosoma mansoni pyruvate kinase 0.0108 0.0402 0.1372
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0035 0.0098 0.0092
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0026 0.0019
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0078 0.0277 0.0938
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0078 0.0277 0.0938
Giardia lamblia Pyruvate kinase 0.0108 0.0402 0.0395
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0026 0.0027
Brugia malayi hypothetical protein 0.0156 0.0602 0.0596
Echinococcus granulosus nuclear receptor nhr 48 0.0037 0.0107 0.0348
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0156 0.0602 0.0821
Schistosoma mansoni pyruvate kinase 0.0055 0.0185 0.0617
Echinococcus granulosus FTZ F1 alpha 0.0078 0.0277 0.0938
Schistosoma mansoni steroid hormone receptor ad4bp 0.0078 0.0277 0.0938
Leishmania major hypothetical protein, conserved 0.0749 0.3052 1
Schistosoma mansoni hypothetical protein 0.0374 0.1501 0.5188
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0014 0.001
Echinococcus granulosus pyruvate kinase 0.0055 0.0185 0.0617
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0113 0.0369
Loa Loa (eye worm) hypothetical protein 0.0029 0.0075 0.0068
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0012 0.0007 0.0022
Echinococcus multilocularis expressed protein 0.0035 0.0102 0.0131
Loa Loa (eye worm) hypothetical protein 0.0014 0.0012 0.0005
Schistosoma mansoni ap endonuclease 0.0062 0.021 0.0705
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0078 0.0277 0.0938
Echinococcus multilocularis pyruvate kinase 0.0055 0.0185 0.0245
Plasmodium falciparum pyruvate kinase 2 0.0055 0.0185 0.45
Mycobacterium ulcerans pyruvate kinase 0.0108 0.0402 0.0292
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0113 0.0369
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0037 0.0107 0.01
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0012 0.0007 0.0171
Trichomonas vaginalis ap endonuclease, putative 0.0062 0.021 0.0203
Brugia malayi steroid hormone receptor 0.0078 0.0277 0.0271
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0026 0.0067
Loa Loa (eye worm) hypothetical protein 0.0037 0.0107 0.01
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0078 0.0277 0.0373
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0221 0.0109
Trypanosoma brucei pyruvate kinase 1, putative 0.0108 0.0402 0.1317
Brugia malayi CXXC zinc finger family protein 0.0031 0.0085 0.0079
Trypanosoma brucei DNA-(apurinic or apyrimidinic site) lyase, putative 0.0012 0.0007 0.0022
Schistosoma mansoni RAR-like nuclear receptor 0.0078 0.0277 0.0938
Leishmania major basic transcription factor 3a, putative 0.008 0.0284 0.0932
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0179 0.0173
Trichomonas vaginalis rotamase, putative 0.0035 0.0098 0.0092
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.243 1 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0749 0.3052 0.3047
Entamoeba histolytica hypothetical protein 0.0156 0.0602 0.0596
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.0107 0.0138
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0012 0.0007 0.0022
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0179 0.0173
Brugia malayi Pyruvate kinase, M2 isozyme 0.0108 0.0402 0.0395
Echinococcus multilocularis pyruvate kinase 0.0108 0.0402 0.0545
Brugia malayi nuclear receptor NHR-88 0.0037 0.0107 0.01
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0062 0.021 0.0203
Trypanosoma cruzi transcription factor btf3, putative 0.008 0.0284 0.0932
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0113 0.0107
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0371 0.0365
Plasmodium vivax pyruvate kinase, putative 0.0108 0.0402 1
Echinococcus granulosus microtubule associated protein 2 0.0709 0.2888 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.1593 0.6542 0.654
Trichomonas vaginalis conserved hypothetical protein 0.008 0.0284 0.0278
Trypanosoma cruzi pyruvate kinase 2, putative 0.0108 0.0402 0.1317
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0113 0.0369
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0062 0.021 0.0203
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0113 0.0107
Echinococcus granulosus geminin 0.0374 0.1501 0.5188
Echinococcus multilocularis pyruvate kinase 0.0108 0.0402 0.0545
Loa Loa (eye worm) hypothetical protein 0.0038 0.0113 0.0107
Loa Loa (eye worm) pyruvate kinase 0.0108 0.0402 0.0395
Trypanosoma cruzi endonuclease/exonuclease/phosphatase, putative 0.0012 0.0007 0.0022
Brugia malayi hypothetical protein 0.0037 0.0107 0.01
Toxoplasma gondii peptidylprolyl isomerase 0.0035 0.0098 0.2448
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0113 0.0154
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0078 0.0277 0.0271
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0037 0.0107 0.01
Entamoeba histolytica hypothetical protein 0.008 0.0284 0.0278
Schistosoma mansoni transcription factor LCR-F1 0.0156 0.0602 0.2067
Loa Loa (eye worm) beta-lactamase 0.0038 0.0113 0.0107
Mycobacterium tuberculosis Conserved protein 0.0038 0.0113 0.0154
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0187 0.0181
Trypanosoma cruzi transcription factor btf3, putative 0.008 0.0284 0.0932
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0012 0.0007 0.0171
Brugia malayi pyruvate kinase, muscle isozyme 0.0023 0.005 0.0043
Echinococcus multilocularis thyroid hormone receptor alpha 0.0078 0.0277 0.0373
Chlamydia trachomatis pyruvate kinase 0.0108 0.0402 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0078 0.0277 0.0938
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0056 0.0187 0.0181
Loa Loa (eye worm) hypothetical protein 0.0078 0.0277 0.0271
Loa Loa (eye worm) hypothetical protein 0.0038 0.0113 0.0107
Loa Loa (eye worm) hypothetical protein 0.0078 0.0277 0.0271
Loa Loa (eye worm) hypothetical protein 0.0078 0.0277 0.0271
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0113 0.0107
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0062 0.021 1
Brugia malayi nuclear hormone receptor 0.0037 0.0107 0.01
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0062 0.021 0.0688
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0113 0.0154
Echinococcus multilocularis musashi 0.003 0.0077 0.0097
Schistosoma mansoni transcription factor btf3 0.008 0.0284 0.0963
Mycobacterium tuberculosis Conserved protein 0.0038 0.0113 0.0154
Toxoplasma gondii NAC domain-containing protein 0.008 0.0284 0.7071
Toxoplasma gondii pyruvate kinase PyKII 0.0055 0.0185 0.4594
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0012 0.0007 0.0022
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0102 0.0095
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0078 0.0277 0.0373
Brugia malayi intermediate filament protein 0.003 0.0077 0.0071
Toxoplasma gondii pyruvate kinase PyK1 0.0108 0.0402 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0026 0.0067
Loa Loa (eye worm) hypothetical protein 0.0037 0.0108 0.0102
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.0187 0.0627
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0012 0.0007 0.0171
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0078 0.0277 0.0271
Trypanosoma brucei protein kinase, putative 0.0056 0.0187 0.0614
Loa Loa (eye worm) steroid hormone receptor 0.0078 0.0277 0.0271
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0113 0.0147
Echinococcus multilocularis pyruvate kinase 0.0055 0.0185 0.0245
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0078 0.0277 0.0271
Schistosoma mansoni intermediate filament proteins 0.003 0.0077 0.0245
Entamoeba histolytica serine/threonine protein kinase, putative 0.0101 0.0371 0.0365
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0078 0.0277 0.0271
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0078 0.0277 0.0271
Trypanosoma cruzi mitochondrial protein 99, putative 0.0012 0.0007 0.0022
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0035 0.0098 0.0323
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0062 0.021 0.0203
Echinococcus multilocularis lamin 0.003 0.0077 0.0097
Loa Loa (eye worm) hypothetical protein 0.0017 0.0026 0.0019
Trypanosoma cruzi hypothetical protein, conserved 0.0749 0.3052 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0037 0.0107 0.0348
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0078 0.0277 0.0271
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0037 0.0107 0.0138
Schistosoma mansoni rotamase 0.0035 0.0102 0.033
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0187 0.0181
Trypanosoma brucei transcription factor BTF3, putative 0.008 0.0284 0.0932
Echinococcus granulosus pyruvate kinase 0.0055 0.0185 0.0617
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.243 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0107 0.01
Brugia malayi pyruvate kinase 0.0023 0.005 0.0043
Echinococcus granulosus pyruvate kinase 0.0108 0.0402 0.1372
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0012 0.0007 0.0022
Onchocerca volvulus Bile acid receptor homolog 0.0078 0.0277 0.0271
Echinococcus multilocularis mitogen activated protein kinase 0.0056 0.0187 0.0249
Onchocerca volvulus 0.003 0.0077 0.0071
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0221 0.0109
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0113 0.0371
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1766 0.7255 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0113 0.0107
Schistosoma mansoni retinoic acid receptor RXR 0.0078 0.0277 0.0938
Loa Loa (eye worm) hypothetical protein 0.0037 0.0107 0.01
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0037 0.0107 0.0348
Loa Loa (eye worm) hypothetical protein 0.0037 0.0107 0.01
Onchocerca volvulus 0.0038 0.0113 0.0107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0078 0.0277 0.0271
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0026 0.0027
Loa Loa (eye worm) hypothetical protein 0.0037 0.0107 0.01
Plasmodium falciparum pyruvate kinase 0.0108 0.0402 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0101 0.0371 0.0365
Onchocerca volvulus 0.003 0.0077 0.0071
Loa Loa (eye worm) hypothetical protein 0.0131 0.0499 0.0492
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0078 0.0277 0.0938
Schistosoma mansoni lamin 0.003 0.0077 0.0245
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0078 0.0277 0.0271
Onchocerca volvulus 0.0037 0.0107 0.01
Schistosoma mansoni cpg binding protein 0.0033 0.0093 0.0298
Entamoeba histolytica transcription factor BTF3, putative 0.008 0.0284 0.0278
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0078 0.0277 0.0271
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0371 0.0365
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0113 0.0154
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0033 0.0091 0.0084
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0778 0.3173 0.4591
Brugia malayi ecdysone receptor 0.0037 0.0107 0.01
Brugia malayi nuclear hormone receptor 0.0078 0.0277 0.0271
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0078 0.0277 0.0373
Brugia malayi nuclear receptor RXR 0.0041 0.0125 0.0119
Loa Loa (eye worm) hypothetical protein 0.0078 0.0277 0.0271
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0037 0.0107 0.0348
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0026 0.0019
Schistosoma mansoni nuclear hormone receptor 0.0078 0.0277 0.0938
Schistosoma mansoni cpg binding protein 0.0033 0.0093 0.0298
Loa Loa (eye worm) hypothetical protein 0.0078 0.0277 0.0271
Loa Loa (eye worm) ICD-1 protein 0.008 0.0284 0.0278
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0035 0.0098 0.0323
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0078 0.0277 0.0271
Leishmania major pyruvate kinase 0.0108 0.0402 0.1317
Trypanosoma cruzi inositol 5-phosphatase 1, putative 0.0012 0.0007 0.0022
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.243 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0062 0.021 0.5139
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0078 0.0277 0.0271
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0156 0.0602 0.2067
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0035 0.0098 0.0323
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0221 0.0745
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0035 0.0102 0.0095
Loa Loa (eye worm) hypothetical protein 0.0037 0.0107 0.01
Entamoeba histolytica hypothetical protein 0.0156 0.0602 0.0596
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1593 0.6542 0.654
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0078 0.0277 0.0938
Plasmodium vivax pyruvate kinase 2, putative 0.0055 0.0185 0.45
Trypanosoma brucei inositol-1,4,5-trisphosphate (IP3) 5-phosphatase, putative 0.0012 0.0007 0.0022
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0101 0.0371 0.1217
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.0187 0.0614
Brugia malayi hypothetical protein 0.0041 0.0125 0.0119
Plasmodium vivax basic transcription factor 3b, putative 0.008 0.0284 0.702
Mycobacterium tuberculosis Conserved protein 0.0038 0.0113 0.0154
Loa Loa (eye worm) hypothetical protein 0.0075 0.0267 0.026
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0056 0.0187 0.0614
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0062 0.021 0.0098
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0078 0.0277 0.0938
Echinococcus granulosus Nuclear hormone receptor HR96 0.0037 0.0107 0.0348
Leishmania major RNA-editing complex protein MP100, putative 0.0012 0.0007 0.0022
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0078 0.0277 0.0938
Brugia malayi MAP kinase sur-1 0.0056 0.0187 0.0181
Schistosoma mansoni hypothetical protein 0.0037 0.0108 0.0353
Loa Loa (eye worm) nuclear hormone receptor 0.0037 0.0107 0.01
Leishmania major inositol phosphosphingolipid phospholipase C-Like 0.0012 0.0007 0.0022
Schistosoma mansoni ap endonuclease 0.0062 0.021 0.0705
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0078 0.0277 0.0938
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0014 0.0026
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0371 0.0365
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0041 0.0125 0.0412
Loa Loa (eye worm) hypothetical protein 0.0078 0.0277 0.0271
Leishmania major hypothetical protein, conserved 0.0012 0.0007 0.0022
Loa Loa (eye worm) hypothetical protein 0.0038 0.0113 0.0107
Brugia malayi Nuclear hormone receptor-like 1 0.0078 0.0277 0.0271
Giardia lamblia Kinase, CMGC MAPK 0.0056 0.0187 0.0181
Schistosoma mansoni kinase 0.0051 0.0168 0.0559
Echinococcus multilocularis pyruvate kinase 0.0055 0.0185 0.0245
Schistosoma mansoni hypothetical protein 0.0017 0.0026 0.0067
Giardia lamblia Pyruvate kinase 0.0055 0.0185 0.0178
Schistosoma mansoni pyruvate kinase 0.0108 0.0402 0.1372
Toxoplasma gondii exonuclease III APE 0.0062 0.021 0.5222
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0037 0.0107 0.0138
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.243 1 1
Schistosoma mansoni hypothetical protein 0.0374 0.1501 0.5188
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0113 0.0154
Echinococcus granulosus ecdysone induced protein 78C 0.0078 0.0277 0.0938
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0113 0.2693
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0778 0.3173 1
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0012 0.0007 0.0171
Loa Loa (eye worm) hypothetical protein 0.0078 0.0277 0.0271
Loa Loa (eye worm) DR-78 0.0037 0.0107 0.01
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0187 0.0181
Onchocerca volvulus 0.0078 0.0277 0.0271
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0012 0.0007 0.0022
Trypanosoma cruzi mitochondrial protein 99, putative 0.0012 0.0007 0.0022
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0062 0.021 0.0688
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0012 0.0007 0.0171
Echinococcus multilocularis cpg binding protein 0.0033 0.0093 0.0119
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0078 0.0277 0.0271
Plasmodium falciparum basic transcription factor 3b, putative 0.008 0.0284 0.702
Trichomonas vaginalis pyruvate kinase, putative 0.0108 0.0402 0.0395
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0187 0.0181
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0012 0.0007 0.0022
Mycobacterium leprae Probable pyruvate kinase PykA 0.0108 0.0402 0.0944
Echinococcus multilocularis ecdysone induced protein 78C 0.0078 0.0277 0.0373
Schistosoma mansoni hypothetical protein 0.0448 0.1806 0.6245
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0221 0.0109
Onchocerca volvulus Protein ultraspiracle homolog 0.0078 0.0277 0.0271
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0056 0.0187 0.466
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0026 0.0019
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0012 0.0007 0.0022
Brugia malayi nuclear receptor NHR-67 0.0037 0.0107 0.01
Trichomonas vaginalis pyruvate kinase, putative 0.0108 0.0402 0.0395
Brugia malayi ecdysteroid receptor 0.0078 0.0277 0.0271
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1593 0.6542 0.654
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0078 0.0277 0.0373
Trichomonas vaginalis esterase, putative 0.0038 0.0113 0.0107
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0371 0.0365
Echinococcus granulosus mitogen activated protein kinase 3 0.0056 0.0187 0.0627
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0221 0.0311
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0037 0.0107 0.01
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0056 0.0187 0.0614
Brugia malayi Pyruvate kinase, muscle isozyme 0.0108 0.0402 0.0395
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1593 0.6542 0.654
Entamoeba histolytica protein tyrosine phosphatase, putative 0.243 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0371 0.0365
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0021 0.0014
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0078 0.0277 0.0373
Schistosoma mansoni serine/threonine protein kinase 0.0101 0.0371 0.1265
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0078 0.0277 0.0271
Echinococcus multilocularis GPCR, family 2 0.0017 0.0026 0.0027
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0078 0.0277 0.0373
Trichomonas vaginalis rotamase, putative 0.0035 0.0102 0.0095
Brugia malayi orphan nuclear receptor NR2E1 0.0037 0.0107 0.01
Echinococcus granulosus pyruvate kinase 0.0108 0.0402 0.1372
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0113 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0078 0.0277 0.0271
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0041 0.0125 0.0412
Leishmania major pantothenate kinase subunit, putative 0.0012 0.0007 0.0022
Echinococcus granulosus dnaJ subfamily B 0.0448 0.1806 0.6245
Brugia malayi beta-lactamase family protein 0.0038 0.0113 0.0107
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.0202 0.5015
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0221 0.0745
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0078 0.0277 0.0271
Trichomonas vaginalis conserved hypothetical protein 0.008 0.0284 0.0278
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0078 0.0277 0.0271
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0113 0.0107
Echinococcus granulosus cpg binding protein 0.0033 0.0093 0.0298
Brugia malayi tailless protein 0.0037 0.0107 0.01
Schistosoma mansoni zinc finger protein 0.0037 0.0107 0.0348
Brugia malayi hypothetical protein 0.0037 0.0107 0.01
Schistosoma mansoni coup transcription factor 0.0078 0.0277 0.0938
Loa Loa (eye worm) hypothetical protein 0.0014 0.0014 0.0008
Echinococcus multilocularis microtubule associated protein 2 0.0709 0.2888 0.3974
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1593 0.6542 0.654
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0101 0.0371 0.0503
Echinococcus multilocularis mitogen activated protein kinase 3 0.0056 0.0187 0.0249
Loa Loa (eye worm) hypothetical protein 0.0041 0.0125 0.0119
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0162 0.0156
Loa Loa (eye worm) pyruvate kinase 0.0108 0.0402 0.0395
Brugia malayi Steroid receptor seven-up type 2 0.0078 0.0277 0.0271
Echinococcus granulosus lamin dm0 0.003 0.0077 0.0245
Entamoeba histolytica pyruvate kinase, putative 0.0075 0.0267 0.026
Leishmania major inositol/phosphatidylinositol phosphatase, putative 0.0012 0.0007 0.0022
Loa Loa (eye worm) pyruvate kinase 0.0108 0.0402 0.0395
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.243 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0037 0.0107 0.01
Entamoeba histolytica hypothetical protein 0.0156 0.0602 0.0596
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0113 0.0154
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0108 0.0102
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.243 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0085 0.0079
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0371 0.0365
Brugia malayi exodeoxyribonuclease III family protein 0.0062 0.021 0.0203
Schistosoma mansoni cpg binding protein 0.0031 0.0085 0.0273
Brugia malayi beta-lactamase 0.0038 0.0113 0.0107
Echinococcus granulosus lamin 0.003 0.0077 0.0245
Treponema pallidum exodeoxyribonuclease (exoA) 0.0062 0.021 0.0311
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.1681 0.6904 1
Trichomonas vaginalis ap endonuclease, putative 0.0062 0.021 0.0203
Brugia malayi photoreceptor-specific nuclear receptor 0.0078 0.0277 0.0271
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0037 0.0107 0.01
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0041 0.0125 0.0119
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0078 0.0277 0.0271
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1593 0.6542 0.654
Brugia malayi serine/threonine-protein kinase plk-2 0.0101 0.0371 0.0365
Echinococcus granulosus transcription factor btf3 0.008 0.0284 0.0963
Onchocerca volvulus Huntingtin homolog 0.0131 0.0499 0.0492
Entamoeba histolytica hypothetical protein 0.0156 0.0602 0.0596
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0012 0.0007 0.0022
Loa Loa (eye worm) hypothetical protein 0.0078 0.0277 0.0271
Loa Loa (eye worm) nuclear receptor NHR-67 0.0037 0.0107 0.01
Echinococcus granulosus pyruvate kinase 0.0055 0.0185 0.0617
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0078 0.0277 0.0938
Onchocerca volvulus 0.0038 0.0113 0.0107
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1593 0.6542 0.654
Leishmania major hypothetical protein, conserved 0.0012 0.0007 0.0022
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0021 0.0014
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0244 0.0964 0.1387
Echinococcus granulosus mitogen activated protein kinase 0.0056 0.0187 0.0627
Trypanosoma cruzi polo-like protein kinase, putative 0.0101 0.0371 0.1217
Trichomonas vaginalis conserved hypothetical protein 0.008 0.0284 0.0278
Schistosoma mansoni thyroid hormone receptor 0.0078 0.0277 0.0938
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0101 0.0371 0.1265
Schistosoma mansoni lamin 0.003 0.0077 0.0245
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0108 0.0402 0.0573
Brugia malayi hypothetical protein 0.0041 0.0125 0.0119
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0078 0.0277 0.0271
Onchocerca volvulus 0.0038 0.0113 0.0107
Onchocerca volvulus 0.0037 0.0107 0.01
Leishmania major hypothetical protein, conserved 0.0012 0.0007 0.0022
Brugia malayi nuclear receptor RXR 0.0037 0.0107 0.01
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0077 0.0071
Trypanosoma brucei polo-like protein kinase 0.0101 0.0371 0.1217
Trypanosoma cruzi RNA-editing complex protein MP100, putative 0.0012 0.0007 0.0022
Trypanosoma brucei Inositol phosphosphingolipids phospholipase C 0.0012 0.0007 0.0022
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0113 0.0371
Loa Loa (eye worm) pyruvate kinase-PB 0.0075 0.0267 0.026
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0062 0.021 0.028
Brugia malayi nuclear hormone receptor family member odr-7 0.0037 0.0107 0.01
Trypanosoma cruzi pyruvate kinase 2, putative 0.0108 0.0402 0.1317
Loa Loa (eye worm) hypothetical protein 0.0041 0.0125 0.0119
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0062 0.021 0.0688
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0035 0.0098 0.0323
Schistosoma mansoni microtubule-associated protein tau 0.0709 0.2888 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0041 0.0125 0.0412
Schistosoma mansoni nuclear receptor nhr-48 0.0037 0.0107 0.0348
Schistosoma mansoni hypothetical protein 0.0156 0.0602 0.2067
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0179 0.0173
Brugia malayi beta-lactamase family protein 0.0038 0.0113 0.0107
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.0107 0.0348
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0062 0.021 0.0294
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0221 0.0745
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.243 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0107 0.01
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0749 0.3052 0.3047
Loa Loa (eye worm) hypothetical protein 0.0041 0.0125 0.0119
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0037 0.0107 0.0138
Schistosoma mansoni nuclear receptor 0.0037 0.0107 0.0348
Onchocerca volvulus Huntingtin homolog 0.0131 0.0499 0.0492
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0162 0.0156
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0041 0.0125 0.0164
Loa Loa (eye worm) hypothetical protein 0.0108 0.0402 0.0395
Echinococcus multilocularis pyruvate kinase 0.0085 0.0308 0.0415
Onchocerca volvulus Pyruvate kinase homolog 0.0108 0.0402 0.0395
Schistosoma mansoni thyroid hormone receptor 0.0078 0.0277 0.0938
Leishmania major endonuclease/exonuclease protein-like protein 0.0012 0.0007 0.0022
Brugia malayi beta-NAC-like protein 0.008 0.0284 0.0278
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0012 0.0007 0.0022
Onchocerca volvulus Pyruvate kinase homolog 0.0108 0.0402 0.0395
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0012 0.0007 0.0171
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0062 0.021 0.0705
Echinococcus multilocularis geminin 0.0374 0.1501 0.2062
Echinococcus multilocularis lamin dm0 0.003 0.0077 0.0097
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0113 0.0371
Leishmania major hypothetical protein, conserved 0.0038 0.0113 0.0371
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.243 1 1
Echinococcus granulosus intermediate filament protein 0.003 0.0077 0.0245
Trypanosoma cruzi hypothetical protein, conserved 0.0749 0.3052 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0037 0.0107 0.0348
Brugia malayi Nuclear hormone receptor E75 0.0037 0.0107 0.01
Trypanosoma brucei inositol/phosphatidylinositol phosphatase, putative 0.0012 0.0007 0.0022
Loa Loa (eye worm) hypothetical protein 0.0037 0.0107 0.01
Onchocerca volvulus Serine\/threonine kinase homolog 0.0101 0.0371 0.0365
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.0231 0.0778
Echinococcus granulosus expressed protein 0.0035 0.0102 0.033
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0012 0.0007 0.0022
Loa Loa (eye worm) hypothetical protein 0.0014 0.0012 0.0005
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0113 0.0107
Schistosoma mansoni nuclear receptor 0.0037 0.0107 0.0348
Leishmania major pyruvate kinase 0.0108 0.0402 0.1317
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0012 0.0007 0.0171

Activities

Activity type Activity value Assay description Source Reference
EC1.5 (binding) = 0.9 uM Activation of human SIRT1 expressed in Escherichia coli BL21 (DE3) assessed as concentration required to increase 50% enzyme activity by fluorescence polarization assay ChEMBL. 19303289
max activation (binding) = 273 % Activation of human SIRT1 expressed in Escherichia coli BL21 (DE3) assessed as maximum activation of enzyme activity by fluorescence polarization assay ChEMBL. 19303289

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

1 literature reference was collected for this gene.

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