Detailed information for compound 1448418

Basic information

Technical information
  • TDR Targets ID: 1448418
  • Name: 2-(2,4-dioxopentan-3-yl)-2-hydroxyindene-1,3- dione
  • MW: 260.242 | Formula: C14H12O5
  • H donors: 1 H acceptors: 5 LogP: 0.81 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)C(C1(O)C(=O)c2c(C1=O)cccc2)C(=O)C
  • InChi: 1S/C14H12O5/c1-7(15)11(8(2)16)14(19)12(17)9-5-3-4-6-10(9)13(14)18/h3-6,11,19H,1-2H3
  • InChiKey: UNWNYZDNRAAMSU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(1-acetyl-2-oxo-propyl)-2-hydroxy-indane-1,3-dione
  • 2-(1-acetyl-2-oxopropyl)-2-hydroxyindane-1,3-dione
  • 2-(1-acetyl-2-keto-propyl)-2-hydroxy-indane-1,3-quinone
  • 2-(2,4-dioxopentan-3-yl)-2-hydroxy-indene-1,3-dione
  • STOCK2S-08823
  • 2-(1-Acetyl-2-oxo-propyl)-2-hydroxy-indan-1,3-dione
  • MLS000588745
  • SMR000212365

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 2 Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens Wolf-Hirschhorn syndrome candidate 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens apoptotic peptidase activating factor 1 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein Get druggable targets OG5_131766 All targets in OG5_131766
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis histone lysine N methyltransferase NSD3 Get druggable targets OG5_130029 All targets in OG5_130029
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus traf and tnf receptor associated protein Get druggable targets OG5_131766 All targets in OG5_131766
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_130029 All targets in OG5_130029
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Histone-lysine N-methyltransferase NSD3, putative Get druggable targets OG5_130029 All targets in OG5_130029
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K05302 histone-lysine N-methyltransferase [EC2.1.1.43], putative Get druggable targets OG5_130029 All targets in OG5_130029
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase Get druggable targets OG5_131766 All targets in OG5_131766
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein Get druggable targets OG5_131766 All targets in OG5_131766
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus histone lysine N methyltransferase NSD3 Get druggable targets OG5_130029 All targets in OG5_130029
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni SET domain protein Get druggable targets OG5_130029 All targets in OG5_130029
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum expressed protein Get druggable targets OG5_130029 All targets in OG5_130029
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Neospora caninum endonuclease/exonuclease/phosphatase domain- containing protein, putative Get druggable targets OG5_131766 All targets in OG5_131766
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum protein with 4 PHD domains plus a SET domain and associated cysteine cluster at the C-terminus Get druggable targets OG5_130029 All targets in OG5_130029
Echinococcus multilocularis traf and tnf receptor associated protein Get druggable targets OG5_131766 All targets in OG5_131766
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Trypanosoma brucei KREX1 tyrosyl-DNA phosphodiesterase 2 362 aa 321 aa 20.9 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.1475 0.1269
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0029 0.0029
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.1475 0.3275
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0164 0.0164
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0164 0.0152
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0029 0.0031
Echinococcus granulosus dna polymerase eta 0.0023 0.0164 0.0164
Echinococcus multilocularis PWWP domain containing protein 2A 0.0011 0.002 0.002
Onchocerca volvulus 0.079 0.9479 1
Onchocerca volvulus 0.0037 0.0334 0.0331
Loa Loa (eye worm) hypothetical protein 0.0251 0.2933 0.3094
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.4167 1
Onchocerca volvulus 0.079 0.9479 1
Echinococcus granulosus PWWP domain containing protein 2A 0.0011 0.002 0.002
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0311 0.0369
Treponema pallidum hexokinase (hxk) 0.079 0.9479 1
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.1475 0.3275
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0029 0.0031
Trypanosoma brucei unspecified product 0.0023 0.0164 0.0152
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0311 0.5
Brugia malayi phosphofructokinase 0.0131 0.1475 0.1556
Toxoplasma gondii hexokinase 0.079 0.9479 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.0164 0.0152
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0029 0.0029
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0029 0.0029
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0029 0.0029
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0029 0.0029
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0164 0.0164
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0311 0.0308
Echinococcus multilocularis histone lysine N methyltransferase, H3 lysine 36 0.0013 0.0036 0.0036
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0164 0.0152
Schistosoma mansoni phd finger protein 0.0011 0.002 0.002
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0029 0.0029
Echinococcus granulosus PWWP domain containing protein 2A 0.0011 0.002 0.002
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0029 0.0029
Onchocerca volvulus 0.0012 0.0029 0.0009
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4167 1
Echinococcus multilocularis PWWP domain containing protein 2A 0.0011 0.002 0.002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4167 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0164 0.0173
Echinococcus multilocularis apoptotic protease activating factor 1 0.0037 0.0334 0.0334
Schistosoma mansoni hypothetical protein 0.0037 0.0334 0.0334
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.1475 0.1475
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0029 0.0029
Echinococcus multilocularis histone lysine N methyltransferase NSD3 0.004 0.0361 0.0361
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0164 0.0152
Echinococcus granulosus hexokinase type 2 0.079 0.9479 0.9479
Onchocerca volvulus 0.0496 0.5903 0.6219
Schistosoma mansoni hypothetical protein 0.0011 0.002 0.002
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0214 0.2485 0.2622
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0029 0.0029
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0029 0.0029
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.1475 0.1538
Echinococcus multilocularis hexokinase 0.079 0.9479 0.9479
Echinococcus multilocularis hepatoma derived growth factor protein 0.0011 0.002 0.002
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0771 0.0794
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0029 0.0029
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0029 0.0009
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0164 0.0152
Schistosoma mansoni hepatoma derived growth factor 0.0011 0.002 0.002
Echinococcus multilocularis hexokinase type 2 0.079 0.9479 0.9479
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0029 0.0029
Brugia malayi hexokinase type II 0.0251 0.2933 0.3094
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0035 0.0311 0.0308
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0031
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0771 0.0771
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0164 0.0152
Schistosoma mansoni DNA polymerase eta 0.0023 0.0164 0.0164
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0029 0.0029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0029 0.0031
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0029 0.0031
Trypanosoma brucei hexokinase 0.079 0.9479 1
Trypanosoma brucei hexokinase 0.079 0.9479 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0311 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0029 0.0029
Echinococcus multilocularis dna polymerase eta 0.0023 0.0164 0.0164
Loa Loa (eye worm) hexokinase 0.0496 0.5903 0.6227
Trypanosoma brucei unspecified product 0.0016 0.0076 0.0059
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0164 0.0152
Brugia malayi 6-phosphofructokinase 0.0131 0.1475 0.1556
Echinococcus granulosus peregrin 0.0011 0.002 0.002
Onchocerca volvulus Cell death protein 3 homolog 0.0037 0.0334 0.0331
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0311 0.0369
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0164 0.0152
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.1475 0.3275
Schistosoma mansoni coup transcription factor 0.0012 0.0029 0.0029
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1974 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0029 0.0029
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4167 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0771 0.3355
Loa Loa (eye worm) hypothetical protein 0.0037 0.0334 0.0352
Entamoeba histolytica hexokinase 1 0.079 0.9479 1
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0311 0.0308
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0031
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4167 0.4383
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4167 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0771 0.3355
Schistosoma mansoni hexokinase 0.079 0.9479 0.9479
Brugia malayi Hexokinase family protein 0.079 0.9479 1
Plasmodium falciparum hexokinase 0.079 0.9479 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0164 0.0173
Echinococcus multilocularis peregrin 0.0011 0.002 0.002
Brugia malayi steroid hormone receptor 0.0012 0.0029 0.0031
Onchocerca volvulus 0.079 0.9479 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0029 0.0029
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0164 0.0152
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0029 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0029 0.0031
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0311 0.0369
Loa Loa (eye worm) hexokinase type II 0.079 0.9479 1
Brugia malayi hypothetical protein 0.0037 0.0334 0.0352
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0029 0.0029
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0771 0.3355
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.1974 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0031
Schistosoma mansoni hepatoma derived growth factor 0.0011 0.002 0.002
Schistosoma mansoni SET domain protein 0.0013 0.0036 0.0036
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.4167 0.4205
Brugia malayi 6-phosphofructokinase 0.0131 0.1475 0.1556
Trypanosoma brucei hexokinase, putative 0.079 0.9479 1
Brugia malayi Hexokinase family protein 0.0496 0.5903 0.6227
Onchocerca volvulus Hexokinase homolog 0.0496 0.5903 0.6219
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0029 0.0031
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0164 0.0173
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.1974 1
Loa Loa (eye worm) hexokinase 0.079 0.9479 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0164 0.0152
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0164 0.0164
Loa Loa (eye worm) PWWP domain-containing protein 0.0011 0.002 0.0021
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0311 0.0369
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0029 0.0031
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.1475 0.1538
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0164 0.0152
Echinococcus granulosus apoptotic protease activating factor 1 0.0037 0.0334 0.0334
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0029 0.0031
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0029 0.0029
Brugia malayi Cell death protein 3 precursor 0.0037 0.0334 0.0352
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0029 0.0029
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.1475 0.1538
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0029 0.0031
Loa Loa (eye worm) hexokinase 0.079 0.9479 1
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.1475 0.3275
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0029 0.0031
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0771 0.0771
Trypanosoma cruzi hexokinase, putative 0.079 0.9479 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0076 0.0059
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4167 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.002 0.0021
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0029 0.0029
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.1475 0.1538
Loa Loa (eye worm) hypothetical protein 0.0037 0.0334 0.0352
Leishmania major hexokinase, putative 0.079 0.9479 1
Echinococcus multilocularis traf and tnf receptor associated protein 0.0214 0.2485 0.2485
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0771 0.0771
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0029 0.0029
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0164 0.0152
Echinococcus granulosus hexokinase 0.079 0.9479 0.9479
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0076 0.0059
Loa Loa (eye worm) hypothetical protein 0.0251 0.2933 0.3094
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0029 0.0031
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.1475 0.724
Loa Loa (eye worm) phosphofructokinase 0.0131 0.1475 0.1556
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0029 0.0031
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0031
Leishmania major hexokinase, putative 0.079 0.9479 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0029 0.0029
Brugia malayi MH2 domain containing protein 0.0144 0.1631 0.1721
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0164 0.0152
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0029 0.0031
Echinococcus granulosus hepatoma derived growth factor protein 0.0011 0.002 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0076 0.0059
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0029 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0029 0.0031
Trypanosoma cruzi hexokinase, putative 0.079 0.9479 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0029 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0029 0.0031
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0211 0.2446 0.258
Brugia malayi nuclear receptor NHR-88 0.0012 0.0029 0.0031
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0164 0.0152
Echinococcus granulosus hexokinase 0.079 0.9479 0.9479
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0164 0.0173
Schistosoma mansoni SET domain protein 0.004 0.0361 0.0361
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0029 0.0031
Echinococcus granulosus hexokinase 0.079 0.9479 0.9479
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0029 0.0029
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0164 0.0152
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0208 0.2409 0.2525
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0164 0.0152
Plasmodium vivax hexokinase, putative 0.079 0.9479 1
Schistosoma mansoni hypothetical protein 0.0011 0.002 0.002
Echinococcus granulosus dna polymerase kappa 0.0023 0.0164 0.0164
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1631 0.1721
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0311 0.0308
Brugia malayi nuclear hormone receptor 0.0012 0.0029 0.0031
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0164 0.0152
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0311 0.0369
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0031
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0029 0.0009
Schistosoma mansoni caspase-7 (C14 family) 0.0037 0.0334 0.0334
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4167 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0029 0.0029
Echinococcus multilocularis caspase 2 0.0037 0.0334 0.0334
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.1475 0.1475
Brugia malayi hexokinase 0.079 0.9479 1
Loa Loa (eye worm) hypothetical protein 0.0539 0.6428 0.6781
Brugia malayi Hexokinase family protein 0.0245 0.2851 0.3007
Trypanosoma brucei unspecified product 0.0016 0.0076 0.0059
Leishmania major DNA polymerase eta, putative 0.0023 0.0164 0.0152
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0771 0.0771
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0031
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0029 0.0031
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0029 0.0029
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0771 0.3355
Brugia malayi ecdysteroid receptor 0.0012 0.0029 0.0031
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4167 1
Schistosoma mansoni hypothetical protein 0.0011 0.002 0.002
Loa Loa (eye worm) hexokinase 0.0245 0.2851 0.3007
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4167 1
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.1475 0.1475
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0771 0.0794
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4167 0.4383
Echinococcus granulosus caspase 2 0.0037 0.0334 0.0334
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.1475 0.724
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0029 0.0029
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1631 0.1721
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0031
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.0311 0.0369
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0311 0.0369
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.1475 0.1556
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0029 0.0031
Echinococcus granulosus histone lysine N methyltransferase NSD3 0.004 0.0361 0.0361
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0029 0.0031
Brugia malayi hypothetical protein 0.0011 0.002 0.0021
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.1475 0.1538
Echinococcus multilocularis hexokinase 0.079 0.9479 0.9479
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0029 0.0029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0029 0.0031
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0029 0.0029
Echinococcus multilocularis hexokinase 0.079 0.9479 0.9479
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0029 0.0031
Echinococcus granulosus traf and tnf receptor associated protein 0.0214 0.2485 0.2485
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.1475 0.1556
Entamoeba histolytica hexokinase 2 0.079 0.9479 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0029 0.0009
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0164 0.0152
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0164 0.0152
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0311 0.0369
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0164 0.0164
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0164 0.0152
Brugia malayi hypothetical protein 0.0011 0.002 0.0021
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0164 0.0164
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0164 0.0152
Brugia malayi PWWP domain containing protein 0.0011 0.002 0.0021
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0164 0.0152
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.1475 0.1475
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.1475 0.1538
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0029 0.0031
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0029 0.0029
Echinococcus granulosus histone lysine N methyltransferase H3 lysine 36 0.0013 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0031

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) 5.35 uM PubChem BioAssay. Development of Small Molecule Probes of the Histone Methyltransferase, NSD2 Measured in Biochemical System Using Plate Reader - 7053-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) 9.102 uM PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response assay to identify inhibitors of human tyrosyl-DNA phosphodiesterase 2 (TDP2). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 9.72 uM PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluorescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID489030, AID492945] ChEMBL. No reference
IC50 (binding) > 22.349 um PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response assay for inhibitors of Protein Phosphatase 5 (PP5). (Class of assay: confirmatory) [Related pubchem assays: 2034 (Summary (PP5 inhibitors)), 1987 (Primary screen (PP5 inhibitors)), 2235 (Counterscreen (PP1 inhibitors in singlate))] ChEMBL. No reference
IC50 (binding) > 67.047 um PUBCHEM_BIOASSAY: Counterscreen for inhibitors of PP5: fluorescence-based biochemical high throughput dose response assay for inhibitors of Protein Phosphatase 1 (PP1). (Class of assay: confirmatory) [Related pubchem assays: 2034 (Summary (PP5 inhibitors)), 1987 (Primary screen (PP5 inhibitors)), 2235 (Screening assay (PP1 inhibitors in singlate))] ChEMBL. No reference
IC50 (functional) > 73.496 uM PUBCHEM_BIOASSAY: TRFRET-based biochemical high throughput dose response assay for inhibitors of the interaction of the Ras and Rab interactor 1 protein (Rin1) and the c-abl oncogene 1, non-receptor tyrosine kinase (Abl). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Dose Response validation of Inhibitors of Apaf-1 using a Fluorescent Interference Counterscreen assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID489030, AID492945] ChEMBL. No reference
Potency (functional) 0.1836 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 1.4125 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) = 2.8184 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 6.2946 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.9441 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (binding) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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