Detailed information for compound 503059

Basic information

Technical information
  • TDR Targets ID: 503059
  • Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S, 3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethy l)oxan-2-yl]oxychromen-4-one
  • MW: 464.376 | Formula: C21H20O12
  • H donors: 8 H acceptors: 9 LogP: 0.36 Rotable bonds: 4 Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
  • InChi: 1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
  • InChiKey: OVSQVDMCBVZWGM-QSOFNFLRSA-N  

Network

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Synonyms

  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1-benzopyran-4-one
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
  • isoquercitrin
  • quercetin 3-O-glucopyranoside
  • hyperoside
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
  • 21637-25-2
  • 482-35-9
  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxy-phenyl)-3-(.beta.-D-glucofuranosyloxy)-5,7-dihydroxy-
  • AIDS-071332
  • AIDS071332
  • Quercetin 3-O-.beta.-D-glucopyranoside
  • Quercetin-3-O-glucopyranoside
  • 3-Glucosylquercetin
  • 4-18-00-03493 (Beilstein Handbook Reference)
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-
  • BRN 0100989
  • Glucosyl 3-quercetin
  • Hirsutrin
  • Isoquercetin
  • NSC 115918
  • Q 5
  • Quercetin 3-D-glucoside
  • Quercetin 3-beta-O-glucoside
  • Quercetin 3-beta-glucoside
  • Quercetin 3-monoglucoside
  • Quercetol 3-glucoside
  • Quercetol 3-monoglucoside
  • 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • C05623
  • PDSP2_001347
  • Isotrifoliin
  • Quercetin 3-O-glucoside
  • PDSP1_001363
  • Quercetin 3-glucoside
  • 17793_FLUKA
  • 3,3',4',5,7-Pentahydroxyflavone 3-beta-glucoside
  • Quercetin 3-beta-D-glucoside
  • ACon1_002134
  • MLS000759532
  • SMR000466391

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL References
Mus musculus alkaline phosphatase 3, intestine, not Mn requiring Starlite/ChEMBL References
Homo sapiens aldo-keto reductase family 1, member B1 (aldose reductase) Starlite/ChEMBL References
Homo sapiens carbonic anhydrase I Starlite/ChEMBL References
Homo sapiens glucosidase, alpha Starlite/ChEMBL References
Homo sapiens alkaline phosphatase, liver/bone/kidney Starlite/ChEMBL References
Homo sapiens carbonic anhydrase II Starlite/ChEMBL References
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL References
Homo sapiens carbonic anhydrase IV Starlite/ChEMBL References
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL References
Homo sapiens carbonic anhydrase XII Starlite/ChEMBL References
Sus scrofa Aldose reductase Starlite/ChEMBL References
Homo sapiens fms-related tyrosine kinase 3 Starlite/ChEMBL References
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL References
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL References
Homo sapiens alkaline phosphatase, intestinal Starlite/ChEMBL References
Rattus norvegicus Aldose reductase Starlite/ChEMBL References
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL References
Homo sapiens carbonic anhydrase VII Starlite/ChEMBL References
Leishmania amazonensis Arginase Starlite/ChEMBL References
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum IPR001395,Aldo/keto reductase,domain-containing Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis arginase 2, mitochondrial Get druggable targets OG5_128245 All targets in OG5_128245
Candida albicans vacuolar alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans likely arginase similar to S. cerevisiae CAR1 (YPL111W) involved in arginine catabolism to ornithine Get druggable targets OG5_128245 All targets in OG5_128245
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni pol-related Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 Get druggable targets OG5_126976 All targets in OG5_126976
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus multilocularis aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis intestinal type alkaline phosphatase 1 Get druggable targets OG5_126976 All targets in OG5_126976
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani arginase Get druggable targets OG5_128245 All targets in OG5_128245
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana arginase Get druggable targets OG5_128245 All targets in OG5_128245
Echinococcus granulosus intestinal type alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) carbonic anhydrase 3 Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni arginase Get druggable targets OG5_128245 All targets in OG5_128245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus alkaline phosphatase intestinal gene 2 Get druggable targets OG5_126976 All targets in OG5_126976
Trypanosoma brucei prostaglandin f synthase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma congolense prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Oxidoreductase, aldo/keto reductase family, related Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni hypothetical protein Get druggable targets OG5_126976 All targets in OG5_126976
Toxoplasma gondii aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Plasmodium yoelii arginase Get druggable targets OG5_128245 All targets in OG5_128245
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128245 All targets in OG5_128245
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium leprae Conserved hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans see also nonallelic CaP19.2244 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei gambiense aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei arginase Get druggable targets OG5_128245 All targets in OG5_128245
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi Putative carbonic anhydrase 5 precursor Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania major aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis intestinal type alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium leprae PROBABLE OXIDOREDUCTASE Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania donovani aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana prostaglandin f2-alpha synthase Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus arginase 2 mitochondrial Get druggable targets OG5_128245 All targets in OG5_128245
Leishmania infantum arginase Get druggable targets OG5_128245 All targets in OG5_128245
Leishmania donovani prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma congolense aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Theileria parva hypothetical protein 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
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Entamoeba histolytica Arginase, putative Get druggable targets OG5_128245 All targets in OG5_128245
Leishmania mexicana carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum ko:K01077 alkaline phosphatase [EC3.1.3.1], putative Get druggable targets OG5_126976 All targets in OG5_126976
Leishmania donovani prostaglandin f2-alpha synthase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium ulcerans oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei gambiense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum ko:K00011 aldehyde reductase [EC1.1.1.21], putative Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania infantum prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Giardia lamblia Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase Get druggable targets OG5_127628 All targets in OG5_127628
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense prostaglandin f synthase. putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major arginase Get druggable targets OG5_128245 All targets in OG5_128245
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis Get druggable targets OG5_128245 All targets in OG5_128245
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum Alkaline phosphatase, tissue-nonspecific isozyme precursor, putative Get druggable targets OG5_126976 All targets in OG5_126976
Plasmodium vivax arginase, putative Get druggable targets OG5_128245 All targets in OG5_128245
Entamoeba histolytica exodeoxyribonuclease III, 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
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania braziliensis arginase Get druggable targets OG5_128245 All targets in OG5_128245
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans see also nonallelic CaP19.2244 Get druggable targets OG5_126583 All targets in OG5_126583
Plasmodium yoelii arginase Get druggable targets OG5_128245 All targets in OG5_128245
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus granulosus alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Candida albicans likely arginase similar to S. cerevisiae CAR1 (YPL111W) involved in arginine catabolism to ornithine Get druggable targets OG5_128245 All targets in OG5_128245
Leishmania braziliensis carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania infantum aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Plasmodium knowlesi arginase, putative Get druggable targets OG5_128245 All targets in OG5_128245
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Giardia lamblia Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus intestinal type alkaline phosphatase 1 Get druggable targets OG5_126976 All targets in OG5_126976
Brugia malayi Eukaryotic-type carbonic anhydrase family protein Get druggable targets OG5_127628 All targets in OG5_127628
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis Arginase, putative Get druggable targets OG5_128245 All targets in OG5_128245
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128245 All targets in OG5_128245
Schistosoma mansoni alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Candida albicans vacuolar alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Plasmodium falciparum arginase Get druggable targets OG5_128245 All targets in OG5_128245
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus 3'partial|arginase 2 mitochondrial Get druggable targets OG5_128245 All targets in OG5_128245
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01476 arginase [EC3.5.3.1], putative Get druggable targets OG5_128245 All targets in OG5_128245
Trypanosoma cruzi aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani aldehyde reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Rattus norvegicus Conserved protein Aldose reductase   316 aa 335 aa 24.2 %
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase II 260 aa 259 aa 32.0 %
Sus scrofa Conserved protein Aldose reductase   316 aa 322 aa 26.1 %
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase VII 208 aa 212 aa 33.0 %
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase IV 312 aa 270 aa 26.7 %
Schistosoma mansoni dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Trypanosoma cruzi carbonic anhydrase-like protein, putative carbonic anhydrase XII 354 aa 295 aa 23.1 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Leishmania amazonensis Arginase/agmatinase family protein similar to S. pombe SPAC11D3.09 Arginase   329 aa 303 aa 24.8 %
Mycobacterium tuberculosis Conserved protein aldo-keto reductase family 1, member B1 (aldose reductase) 316 aa 325 aa 24.6 %
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase I 261 aa 281 aa 25.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Activation of Nrf2 in mouse RAW264.7 cells assessed as upregulation of Hmox1 gene expression at 10 to 50 uM after 6 hrs by real-time PCR analysis relative to GAPDH mRNA expression ChEMBL. 23294286
Activity (binding) Enhancement of GLUT4 translocation in rat L6 cells expressing pIRAP-mOrange cDNAs at 10 uM after 10 mins by fluorescence assay relative to control ChEMBL. 24894556
Activity (binding) Inhibition of AMPK-mediated adipocyte differentiation in mouse 3T3L1 cells ChEMBL. 20822902
Activity (binding) Inhibition of PPAR-gamma-mediated adipocyte differentiation in mouse 3T3L1 cells ChEMBL. 20822902
Activity (functional) 0 Antiviral activity against hepatitis B virus assessed as inhibition of viral particle production ChEMBL. 18029179
Activity (functional) 0 Hepatoprotective activity against HBV in human HepG2.2.15 cells ChEMBL. 18029179
Activity (functional) = -2.4 % Induction of adipogenesis in mouse 3T3L1 cells assessed as increase in triglyceride level at 30 uM on day 8 relative to control ChEMBL. 21493073
Activity (functional) = -2.2 % Induction of adipogenesis in mouse 3T3L1 cells assessed as increase in triglyceride level at 1 uM on day 8 relative to control ChEMBL. 21493073
Activity (functional) = -0.2 % Induction of adipogenesis in mouse 3T3L1 cells assessed as increase in triglyceride level at 10 uM on day 8 relative to control ChEMBL. 21493073
Activity (functional) = 0.1 % Induction of adipogenesis in mouse 3T3L1 cells assessed as increase in triglyceride level at 3 uM on day 8 relative to control ChEMBL. 21493073
Activity (ADMET) = 70 % Cytotoxicity against human Raji cells assessed as cell viability at 1000 molar ratio ChEMBL. 17190444
Activity (ADMET) > 80 % Cytotoxicity against human Raji cells assessed as cell viability at 500 molar ratio ChEMBL. 17190444
Activity (ADMET) > 80 % Cytotoxicity against human Raji cells assessed as cell viability at 100 molar ratio ChEMBL. 17190444
Activity (ADMET) > 80 % Cytotoxicity against human Raji cells assessed as cell viability at 10 molar ratio ChEMBL. 17190444
Activity (binding) = 96.2 % Induction of mushroom tyrosinase activity using L-tyrosine as substrate at 100 uM after 30 mins ChEMBL. 24433966
Activity (ADMET) = 97.3 % Cytotoxicity against mouse BV2 cells assessed as cell viability at 20 uM by MTT assay relative to LPS-treated cells ChEMBL. 23149227
Activity (binding) = 104.1 % Induction of mushroom tyrosinase activity using L-tyrosine as substrate at 200 uM after 30 mins ChEMBL. 24433966
Activity (ADMET) = 105 % Cytotoxicity against mouse B16F10 cells assessed as cell viability at 10 uM by MTT assay ChEMBL. 24433966
Activity (binding) = 106.6 % Induction of mushroom tyrosinase activity using L-DOPA as substrate at 50 uM after 30 mins ChEMBL. 24433966
Activity (binding) = 110.2 % Induction of mushroom tyrosinase activity using L-DOPA as substrate at 100 uM after 30 mins ChEMBL. 24433966
Activity (binding) = 111.6 % Induction of mushroom tyrosinase activity using L-tyrosine as substrate at 50 uM after 30 mins ChEMBL. 24433966
Activity (binding) = 116 % Induction of mushroom tyrosinase activity using L-DOPA as substrate at 200 uM after 30 mins ChEMBL. 24433966
Activity (functional) = 1.91 mM Antioxidant activity assessed as ABTS radical scavenging activity after 15 mins by TEAC assay ChEMBL. 17922550
Activity (functional) = 24.78 ng/ml Antiinflammatory activity in LPS-stimulated mouse RAW264.7 cells assessed as TNF-alpha level at 1 to 100 uM after 18 hrs ChEMBL. 21353543
Activity (functional) = 1.38 uM Antiinflammatory activity in LPS-stimulated mouse RAW264.7 cells assessed as nitrite level at 1 to 100 uM after 24 hrs by Griess method ChEMBL. 21353543
Cp (ADMET) = 5 uM Drug level in human plasma ChEMBL. 18024139
ED50 (functional) > 100 ug ml-1 Cytotoxicity against human KB cells ChEMBL. 469554
FC (binding) = 1 Activation of Nrf2 in mouse RAW264.7 cells assessed as upregulation of HO1 protein expression at 50 uM after 6 hrs by Western blotting analysis ChEMBL. 23294286
GI (functional) = 1.5 % Growth inhibition of human BGC823 cells at 5 uM after 72 hrs by MTT assay relative to control ChEMBL. 17997321
GI (functional) = 8.4 % Growth inhibition of human BGC823 cells at 10 uM after 72 hrs by MTT assay relative to control ChEMBL. 17997321
GI (functional) = 9.2 % Growth inhibition of human BGC823 cells at 50 uM after 72 hrs by MTT assay relative to control ChEMBL. 17997321
GI (functional) = 12.1 % Growth inhibition of human BGC823 cells at 100 uM after 72 hrs by MTT assay relative to control ChEMBL. 17997321
IC50 (binding) Inhibition of HIV1 recombinant integrase expressed in Escherichia coli ChEMBL. 16643034
IC50 (functional) = 14.7 ug ml-1 Antiprotozoal activity against Entamoeba histolytica HM-1:IMSS trophozoites after 48 hrs by MTT/PMS assay ChEMBL. 11374974
IC50 (functional) > 100 ug ml-1 Cytotoxicity against human Jurkat T cells after 36 hrs by MTT assay ChEMBL. 21546250
IC50 (binding) = 2 uM Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated for 10 mins prior to substrate addition measured after 10 mins by colorimetry ChEMBL. 24521209
IC50 (functional) = 4.05 uM Antiplasmodial activity against chloroquine-resistant blood stage Plasmodium falciparum Dd2 after 72 hrs by SYBR Green I-based fluorescence assay ChEMBL. 24530004
IC50 (binding) = 4.4 uM Inhibition of Sprague-Dawley rat lens aldose reductase ChEMBL. 22264115
IC50 (binding) = 4.5 uM Inhibition of human recombinant aldose reductase using D-glyceraldehyde as substrate preincubated for 10 mins before substrate addition measured for every 10 secs for 50 mins by spectrophotometry ChEMBL. 22261024
IC50 (binding) > 10 uM Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay ChEMBL. 23411073
IC50 (binding) = 16 uM Inhibition of pig lens aldose reductase by spectrophotometry ChEMBL. 8699190
IC50 (functional) = 19.8 uM Antineuroinflammatory activity against mouse BV2 cells assessed as inhibition of LPS-induced nitric oxide production after 24 hrs by Griess method ChEMBL. 23149227
IC50 (binding) = 26.31 uM Inhibition of xanthine oxidase-mediated formation of uric acid by spectrophotometry ChEMBL. 12444671
IC50 (binding) = 28.43 uM Inhibition of sEH (unknown origin) assessed as substrate PHOME hydrolysis after 1 hr by fluorescence method ChEMBL. 24679441
IC50 (binding) > 50 uM Inhibition of xanthine oxidase-mediated formation of uric acid by spectrophotometry ChEMBL. 12444671
IC50 (functional) > 50 uM Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced TNF-alpha secretion after 18 hrs by sandwich ELISA ChEMBL. 24679441
IC50 (functional) = 61.2 uM Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitric oxide production after 24 hrs by Griess method ChEMBL. 21353543
IC50 (binding) > 70 uM Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins followed by substrate addition measured after 15 mins ChEMBL. 25935644
IC50 (functional) = 76.3 uM Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced TNF-alpha secretion after 18 hrs ChEMBL. 21353543
IC50 (binding) = 370.2 uM Inhibition of influenza A virus (A/California/07/2009(H1N1)) pdm09 neuraminidase using MUNANA substrate pre-incubated for 30 mins before substrate addition by fluorometric assay ChEMBL. 25096296
IC50 (binding) = 477.1 uM Inhibition of influenza A virus (A/Perth/16/2009(H3N2)) neuraminidase using MUNANA substrate pre-incubated for 30 mins before substrate addition by fluorometric assay ChEMBL. 25096296
Inhibition (binding) Inhibition of porcine pancreatic lipase using para-nitrophenyl butyrate as substrate at 100 uM by ELISA ChEMBL. 23642481
Inhibition (binding) Inhibition of ovine COX1 assessed as PGE2 formation at 10 ug/ml by LC-MS-MS analysis ChEMBL. 21261296
Inhibition (binding) Inhibition of human COX2 assessed as PGE2 formation at 10 ug/ml by LC-MS-MS analysis ChEMBL. 21261296
Inhibition (binding) = -2.5 % Inhibition of plasmin (unknown origin) at 100 uM after 18 hrs by arianor mahogany dye-based fibrin plate assay relative to control ChEMBL. 25987378
Inhibition (binding) = 0 % Inhibition of rat lung ACE at 56 ug/ml relative to control ChEMBL. 3430165
Inhibition (binding) = 0 % Inhibition of rat lung ACE at 38 ug/ml relative to control ChEMBL. 3430165
Inhibition (binding) = 0.12 % Inhibition of electric eel AChE at 2 mg/ml by Ellman's method ChEMBL. 23062825
Inhibition (binding) = 2.54 % Inhibition of horse BChE at 2 mg/ml by Ellman's method ChEMBL. 23062825
Inhibition (binding) = 3 % Inhibition of rat lung ACE at 113 ug/ml relative to control ChEMBL. 3430165
Inhibition (binding) = 4.4 % Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as dopaquinone production at 10 uM after 5 mins by microplate reader analysis relative to control ChEMBL. 25987378
Inhibition (binding) = 5 % Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as dopaquinone production at 100 uM after 5 mins by microplate reader analysis relative to control ChEMBL. 25987378
Inhibition (binding) = 9 % Inhibition of rat lung ACE at 75 ug/ml relative to control ChEMBL. 3430165
Inhibition (binding) = 12.6 % Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol at 100 uM preincubated for 15 mins followed by substrate addition measured after 15 mins relative to control ChEMBL. 25935644
Inhibition (binding) = 19 % Inhibition of rat lung ACE at 150 ug/ml relative to control ChEMBL. 3430165
Inhibition (binding) = 19 % Inhibition of rat lung ACE at 225 ug/ml relative to control ChEMBL. 3430165
Inhibition (binding) = 25 % Inhibition of COX2 at 2.5 ug/mL ChEMBL. 16038536
Inhibition (binding) > 40 % Inhibition of sEH (unknown origin) assessed as substrate PHOME hydrolysis at 25 uM after 1 hr by fluorescence method ChEMBL. 24679441
Inhibition (binding) < 50 % Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate at 100 uM ChEMBL. 24047800
Inhibition (binding) = 76.57 % Inhibition of TRAP activity in RANKL-induced Balb/c mouse RAW264.7 cells at 1 uM after 1 hr by ELISA relative to control ChEMBL. 24485782
Inhibition (binding) = 82.9 % Inhibition of TRAP activity in RANKL-induced Balb/c mouse RAW264.7 cells at 10 uM after 1 hr by ELISA relative to control ChEMBL. 24485782
Inhibition (binding) = 133 % Inhibition of rat lung ACE at 300 ug/ml relative to control ChEMBL. 3430165
Inhibition (binding) = 155.6 % Inhibition of TRAP activity in Balb/c mouse RAW264.7 cells at 1 uM after 1 hr by ELISA relative to control ChEMBL. 24485782
Inhibition (binding) = 168.48 % Inhibition of TRAP activity in Balb/c mouse RAW264.7 cells at 10 uM after 1 hr by ELISA relative to control ChEMBL. 24485782
Ki (binding) = 3.8 nM Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay ChEMBL. 26498393
Ki (binding) = 52.1 nM Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay ChEMBL. 26498393
Ki (binding) = 75.7 nM Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay ChEMBL. 26498393
Ki (binding) = 170 nM Inhibition of human recombinant carbonic anhydrase 12 ChEMBL. 26498393
Ki (binding) = 410 nM Inhibition of human recombinant carbonic anhydrase 2 ChEMBL. 26498393
Ki (binding) = 6211.2 nM Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay ChEMBL. 26498393
Ki (binding) > 10000 nM Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay ChEMBL. 26498393
Ki (binding) > 10000 nM Inhibition of human recombinant carbonic anhydrase 1 ChEMBL. 26498393
Kis (binding) = 6.9 uM Noncompetitive inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate assessed as enzyme-substrate-inhibitor complex by Dixon reciprocal plot analysis ChEMBL. 24521209
MBC (functional) Antibacterial activity against Escherichia coli ATCC 8739 after 48 hrs by broth microdilution method ChEMBL. 20058934
MIC (functional) Antibacterial activity against Escherichia coli ATCC 8739 after 24 hrs by broth microdilution method ChEMBL. 20058934
MIC (functional) = 4 mg/ml Antifungal activity against Candida albicans ATCC 10231 after 24 hrs by broth microdilution method ChEMBL. 20058934
MIC (functional) = 94 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by microplate alamar blue assay ChEMBL. 15104489
TIME (binding) = 1 ms Binding affinity to birch major pollen allergen Bet v 1-A assessed as ligand-target residence time at 1H-6 resonance by (1)H relaxation dispersion NMR spectroscopy LITERATURE. 27933946

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 24530004
Entamoeba histolytica ChEMBL23 11374974
Mus musculus ChEMBL23 23149227

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

15 literature references were collected for this gene.

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