Detailed information for compound 1393950

Basic information

Technical information
  • TDR Targets ID: 1393950
  • Name: 4-[1-[2-[(2,6-dimethylphenyl)amino]-2-oxoethy l]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(f uran-2-ylmethyl)butanamide
  • MW: 494.563 | Formula: C25H26N4O5S
  • H donors: 2 H acceptors: 4 LogP: 2.66 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1ccco1)CCCn1c(=O)n(CC(=O)Nc2c(C)cccc2C)c2c(c1=O)scc2
  • InChi: 1S/C25H26N4O5S/c1-16-6-3-7-17(2)22(16)27-21(31)15-29-19-10-13-35-23(19)24(32)28(25(29)33)11-4-9-20(30)26-14-18-8-5-12-34-18/h3,5-8,10,12-13H,4,9,11,14-15H2,1-2H3,(H,26,30)(H,27,31)
  • InChiKey: ZXJLPKUOLZHBNG-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[1-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-2,4-dioxo-thieno[3,2-d]pyrimidin-3-yl]-N-(2-furylmethyl)butanamide
  • 4-[1-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-2,4-dioxo-3-thieno[3,2-d]pyrimidinyl]-N-(2-furylmethyl)butanamide
  • 4-[1-[2-[(2,6-dimethylphenyl)amino]-2-keto-ethyl]-2,4-diketo-thieno[3,2-d]pyrimidin-3-yl]-N-(2-furylmethyl)butyramide
  • 4-[1-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-2,4-dioxo-thieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)butanamide
  • 4-[1-{2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-(2-furylmethyl)butanamide
  • MLS000087527
  • SMR000023750
  • MLS000876644

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lysosomal alpha glucosidase 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
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
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 lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Onchocerca volvulus Dual oxidase homolog 0.0081 0.0773 0.3018
Echinococcus multilocularis 6 phosphofructokinase 0.0107 0.1084 0.1084
Onchocerca volvulus Chorion peroxidase homolog 0.0081 0.0773 0.3018
Echinococcus multilocularis serine:threonine protein kinase 38 0.0017 0.0029 0.0029
Brugia malayi Animal haem peroxidase family protein 0.0081 0.0773 0.2475
Schistosoma mansoni serine/threonine protein kinase 0.0109 0.1099 0.3353
Brugia malayi Pre-SET motif family protein 0.003 0.0176 0.0538
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0348 0.1063
Schistosoma mansoni serine/threonine protein kinase 0.0109 0.1099 0.3353
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0011 0.0035
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0458 0.0458
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0029 0.0026
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1084 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0408 0.1322
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0176 0.0176
Echinococcus granulosus dnaJ subfamily C 6 0.0061 0.0538 0.1726
Leishmania major glycosyl hydrolase-like protein 0.0016 0.0022 0.0104
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0449 0.1453
Brugia malayi Hr1 repeat family protein 0.0017 0.0029 0.0058
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0168 0.054
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0458 0.1469
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.2123 0.6863
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0029 0.0026
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0341 0.3003
Brugia malayi Animal haem peroxidase family protein 0.0081 0.0773 0.2475
Loa Loa (eye worm) animal heme peroxidase 0.0081 0.0773 0.2501
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0348 0.1118
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0176 0.0176
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0029 0.0026
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1178 0.3815
Brugia malayi mbt repeat family protein 0.0047 0.0382 0.1206
Brugia malayi Matrixin family protein 0.0078 0.0736 0.2356
Echinococcus granulosus jumonji domain containing protein 0.004 0.03 0.0962
Onchocerca volvulus 0.011 0.1113 0.435
Trypanosoma brucei glucosidase, putative 0.0044 0.0341 0.3076
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0164 0.0526
Schistosoma mansoni transcription factor LCR-F1 0.007 0.0653 0.1991
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0017 0.0029 0.0092
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0382 0.1165
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0239 0.0729
Leishmania major ATP-dependent phosphofructokinase 0.0107 0.1084 1
Onchocerca volvulus Alhambra homolog 0.0029 0.0168 0.0658
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0117 0.0988
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0382 0.1165
Onchocerca volvulus Matrilysin homolog 0.0172 0.1836 0.7172
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0341 0.1257
Brugia malayi Matrixin family protein 0.0188 0.2017 0.6517
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0458 0.1469
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0171 0.0586
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0031 0.0196 0.0634
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0016 0.0051
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.0022 0.0036
Trypanosoma brucei glycosyl hydrolase-like protein 0.0016 0.0022 0.0104
Loa Loa (eye worm) hypothetical protein 0.0047 0.0382 0.1237
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0011 0.0011
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0341 0.1257
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.006 0.0192
Brugia malayi Animal haem peroxidase family protein 0.0081 0.0773 0.2475
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2123 0.2123
Schistosoma mansoni peroxidasin 0.0081 0.0773 0.2357
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0382 0.0382
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0107 0.1084 1
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.006 0.3057
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0468 0.1503
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0239 0.0729
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0341 0.3076
Echinococcus multilocularis protein kinase c iota type 0.0029 0.0167 0.0167
Echinococcus multilocularis conserved hypothetical protein 0.0294 0.3256 0.3256
Loa Loa (eye worm) doublecortin family protein 0.0019 0.006 0.0194
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0017 0.0029 0.0093
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0341 0.3003
Echinococcus granulosus NDR protein kinase 0.0017 0.0029 0.0092
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0171 0.5
Schistosoma mansoni lipoxygenase 0.0055 0.0468 0.1429
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0239 0.0239
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0017 0.0029 0.0093
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0341 0.1257
Brugia malayi follicle stimulating hormone receptor 0.028 0.3089 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0382 0.0382
Brugia malayi DnaJ domain containing protein 0.0061 0.0538 0.1713
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0082 0.0786 0.2399
Brugia malayi hypothetical protein 0.0081 0.0773 0.2475
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1084 0.4185
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.0493 0.1505
Plasmodium vivax SET domain protein, putative 0.003 0.0176 1
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0078 0.0736 0.0736
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0029 0.0087
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0341 0.1073
Schistosoma mansoni hypothetical protein 0.0061 0.0538 0.1641
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.0493 0.4494
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0168 0.0545
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.2229 0.7216
Brugia malayi hypothetical protein 0.0019 0.006 0.0159
Schistosoma mansoni alpha-glucosidase 0.0169 0.1804 0.5504
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0022 0.0104
Loa Loa (eye worm) hypothetical protein 0.0089 0.0874 0.2831
Loa Loa (eye worm) hypothetical protein 0.0081 0.0773 0.2501
Brugia malayi Protein kinase domain containing protein 0.0017 0.0029 0.0058
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0171 0.0586
Brugia malayi Protein kinase c protein 2 0.0092 0.0907 0.2913
Brugia malayi PHD-finger family protein 0.0029 0.0168 0.0512
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0341 0.1257
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0176 0.0538
Loa Loa (eye worm) hypothetical protein 0.0081 0.0773 0.2501
Onchocerca volvulus Peroxidasin homolog 0.0081 0.0773 0.3018
Loa Loa (eye worm) hypothetical protein 0.0081 0.0773 0.2501
Schistosoma mansoni glucose-6-phosphatase 0.0296 0.3278 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0341 0.0341
Loa Loa (eye worm) hypothetical protein 0.0078 0.0736 0.2383
Entamoeba histolytica hypothetical protein 0.007 0.0653 0.5936
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.0653 0.2094
Loa Loa (eye worm) hypothetical protein 0.0078 0.0736 0.2383
Onchocerca volvulus 0.0033 0.0212 0.0828
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0186 0.1997 0.6407
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0078 0.0736 0.2245
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.006 0.0192
Schistosoma mansoni atypical protein kinase C 0.0029 0.0167 0.051
Loa Loa (eye worm) animal heme peroxidase 0.0081 0.0773 0.2501
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1084 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0382 0.1226
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0029 0.0026
Trypanosoma brucei rac serine-threonine kinase, putative 0.0017 0.0029 0.0165
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.2123 0.6812
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0017 0.0029 0.0092
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0239 0.0774
Loa Loa (eye worm) hypothetical protein 0.0033 0.0212 0.0686
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0458 0.1453
Mycobacterium ulcerans hydrolase 0.0094 0.0933 0.7439
Onchocerca volvulus 0.0114 0.1157 0.4522
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.1084 0.351
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0015 0.0009 0.0029
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0011 0.0011
Schistosoma mansoni loxhd1 0.0019 0.006 0.0182
Schistosoma mansoni lamin 0.0033 0.0212 0.0646
Loa Loa (eye worm) hypothetical protein 0.0054 0.0458 0.1483
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0029 0.0087
Echinococcus multilocularis dnaJ subfamily C 6 0.0061 0.0538 0.0538
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0016 0.0024 0.0009
Onchocerca volvulus Peroxidase homolog 0.0081 0.0773 0.3018
Echinococcus granulosus Protein kinase C brain isozyme 0.0109 0.1099 0.3526
Loa Loa (eye worm) hypothetical protein 0.003 0.0176 0.0571
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0011 0.0011
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0094 0.0933 0.859
Loa Loa (eye worm) hypothetical protein 0.0016 0.0016 0.0051
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0341 0.1094
Echinococcus multilocularis conserved hypothetical protein 0.0294 0.3256 0.3256
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0117 0.0988
Trichomonas vaginalis set domain proteins, putative 0.0234 0.256 1
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.1084 0.3308
Loa Loa (eye worm) hypothetical protein 0.0078 0.0736 0.2383
Brugia malayi Matrixin family protein 0.0078 0.0736 0.2356
Echinococcus granulosus 6 phosphofructokinase 0.0107 0.1084 0.3479
Echinococcus granulosus lamin dm0 0.0033 0.0212 0.068
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0171 0.0586
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0458 0.1397
Brugia malayi Hemopexin family protein 0.011 0.1113 0.3582
Loa Loa (eye worm) hypothetical protein 0.0081 0.0773 0.2501
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0109 0.1099 0.1099
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0458 0.0458
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.1084 1
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0029 0.0026
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0239 0.0767
Schistosoma mansoni hypothetical protein 0.0019 0.006 0.0182
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0348 0.0348
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0382 0.1492
Brugia malayi Pre-SET motif family protein 0.0206 0.2229 0.7206
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0382 0.1165
Echinococcus multilocularis lamin dm0 0.0033 0.0212 0.0212
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0176 0.0538
Plasmodium falciparum phd finger protein, putative 0.0029 0.0168 0.9848
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0117 0.3212
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.0932 0.0932
Schistosoma mansoni unc-13 (munc13) 0.0016 0.0022 0.0066
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0171 0.1401
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0468 0.0468
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0168 0.0168
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.006 0.2954
Loa Loa (eye worm) hypothetical protein 0.0081 0.0773 0.2501
Loa Loa (eye worm) AGC/NDR protein kinase 0.0017 0.0029 0.0093
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0016 0.0022 0.0086
Loa Loa (eye worm) phosphofructokinase 0.0107 0.1084 0.351
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0029 0.0026
Loa Loa (eye worm) animal heme peroxidase 0.0081 0.0773 0.2501
Schistosoma mansoni hypothetical protein 0.0164 0.1743 0.5317
Onchocerca volvulus 0.0019 0.006 0.0234
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0341 0.1257
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0171 0.0586
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0171 0.0586
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0348 0.1097
Echinococcus granulosus peregrin 0.0029 0.0168 0.054
Schistosoma mansoni rab6-interacting 0.0019 0.006 0.0182
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0186 0.1997 0.1997
Onchocerca volvulus 0.0033 0.0212 0.0828
Echinococcus granulosus serine:threonine protein kinase N2 0.0017 0.0029 0.0092
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0196 0.0597
Echinococcus granulosus RNA directed DNA polymerase 0.0078 0.0736 0.2361
Loa Loa (eye worm) hypothetical protein 0.0019 0.006 0.0194
Brugia malayi hypothetical protein 0.0024 0.0117 0.0345
Schistosoma mansoni rab6-interacting 0.0019 0.006 0.0182
Onchocerca volvulus 0.0078 0.0736 0.2875
Schistosoma mansoni lipoxygenase 0.0019 0.006 0.0182
Echinococcus multilocularis RNA directed DNA polymerase 0.0078 0.0736 0.0736
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0493 0.1583
Onchocerca volvulus Matrix metalloproteinase homolog 0.0172 0.1836 0.7172
Entamoeba histolytica protein kinase, putative 0.0017 0.0029 0.0061
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0022 0.0104
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0029 0.0026
Loa Loa (eye worm) hypothetical protein 0.0094 0.0933 0.302
Entamoeba histolytica protein kinase, putative 0.0017 0.0029 0.0061
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0168 0.9515
Entamoeba histolytica protein kinase, putative 0.0017 0.0029 0.0061
Schistosoma mansoni serine/threonine kinase 0.0017 0.0029 0.0087
Loa Loa (eye worm) matrixin family protein 0.0172 0.1836 0.5944
Brugia malayi Animal haem peroxidase family protein 0.0081 0.0773 0.2475
Onchocerca volvulus 0.003 0.0176 0.0689
Loa Loa (eye worm) animal heme peroxidase 0.0081 0.0773 0.2501
Brugia malayi Doublecortin family protein 0.0019 0.006 0.0159
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0341 0.1257
Loa Loa (eye worm) AGC/AKT protein kinase 0.0017 0.0029 0.0093
Brugia malayi hypothetical protein 0.007 0.0653 0.2085
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0029 0.0026
Loa Loa (eye worm) hypothetical protein 0.0081 0.0773 0.2501
Loa Loa (eye worm) hypothetical protein 0.0032 0.0205 0.0664
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.1084 0.3308
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0171 0.0586
Onchocerca volvulus Peroxidase homolog 0.0081 0.0773 0.3018
Echinococcus multilocularis serine threonine protein kinase 0.0097 0.0961 0.0961
Toxoplasma gondii AGC kinase 0.0017 0.0029 0.0537
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0029 0.0026
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0168 0.4773
Brugia malayi hypothetical protein 0.0019 0.006 0.0159
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.1084 1
Brugia malayi MH2 domain containing protein 0.0116 0.1178 0.3793
Entamoeba histolytica hypothetical protein 0.007 0.0653 0.5936
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0348 0.1063
Loa Loa (eye worm) blistered cuticle protein 3 0.0081 0.0773 0.2501
Loa Loa (eye worm) hypothetical protein 0.0019 0.006 0.0194
Echinococcus multilocularis peregrin 0.0029 0.0168 0.0168
Echinococcus granulosus protein kinase C gamma type 0.0097 0.0961 0.3082
Brugia malayi Matrixin family protein 0.0078 0.0736 0.2356
Loa Loa (eye worm) hypothetical protein 0.0081 0.0773 0.2501
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1084 0.4185
Loa Loa (eye worm) hypothetical protein 0.0024 0.0117 0.0379
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0017 0.0029 0.0092
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0171 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0773 0.2501
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0168 0.0514
Brugia malayi hypothetical protein 0.0016 0.0016 0.0017
Onchocerca volvulus Peroxidasin homolog 0.0081 0.0773 0.3018
Entamoeba histolytica protein kinase, putative 0.0017 0.0029 0.0061
Loa Loa (eye worm) hypothetical protein 0.0081 0.0773 0.2501
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0017 0.0029 0.0029
Onchocerca volvulus 0.0047 0.0382 0.1492
Brugia malayi phosphofructokinase 0.0107 0.1084 0.3487
Loa Loa (eye worm) hypothetical protein 0.0081 0.0773 0.2501
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.008 0.0769 0.249
Echinococcus multilocularis geminin 0.0164 0.1743 0.1743
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0341 0.1257
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.0653 0.0653
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0036 0.0116
Echinococcus granulosus protein kinase c iota type 0.0029 0.0167 0.0536
Brugia malayi jmjC domain containing protein 0.0094 0.0932 0.2993
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0341 1
Echinococcus granulosus peroxidasin 0.0081 0.0773 0.2479
Echinococcus multilocularis jumonji domain containing protein 0.004 0.03 0.03
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.1084 0.351
Onchocerca volvulus 0.0081 0.0773 0.3018
Loa Loa (eye worm) hypothetical protein 0.0081 0.0773 0.2501
Brugia malayi Protein kinase domain containing protein 0.0017 0.0029 0.0058
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0011 0.0035
Echinococcus multilocularis protein kinase c epsilon type 0.0031 0.0196 0.0196
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0117 0.0988
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0171 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0348 0.1118
Leishmania major hypothetical protein, conserved 0.0024 0.0117 0.0988
Echinococcus multilocularis serine:threonine protein kinase N2 0.0017 0.0029 0.0029
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0171 0.0586
Loa Loa (eye worm) hypothetical protein 0.0029 0.0168 0.0545
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0029 0.0087
Echinococcus granulosus lamin 0.0033 0.0212 0.068
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.0493 0.4494
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0706 0.2154
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0094 0.0933 0.2995
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0171 0.4847
Mycobacterium ulcerans 6-phosphofructokinase 0.0107 0.1084 1
Onchocerca volvulus 0.0234 0.256 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0493 0.0493
Brugia malayi p70 ribosomal S6 kinase beta 0.0017 0.0029 0.0058
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.3089 1
Entamoeba histolytica hypothetical protein 0.007 0.0653 0.5936
Loa Loa (eye worm) matrix metalloproteinase 0.0078 0.0736 0.2383
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0176 0.0538
Brugia malayi Protein kinase domain containing protein 0.0017 0.0029 0.0058
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0171 1
Loa Loa (eye worm) DnaJ domain-containing protein 0.0061 0.0538 0.1742
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.006 0.006
Echinococcus granulosus intermediate filament protein 0.0033 0.0212 0.068
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.0932 0.2991
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0341 0.3076
Schistosoma mansoni hypothetical protein 0.0029 0.0168 0.0514
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1178 0.3815
Onchocerca volvulus 0.0081 0.0773 0.3018
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0526 0.1702
Brugia malayi jmjC domain containing protein 0.0035 0.0239 0.0741
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0168 0.4773
Schistosoma mansoni polycystin 1-related 0.0019 0.006 0.0182
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0171 0.4847
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0341 0.1104
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0171 0.9662
Loa Loa (eye worm) hypothetical protein 0.0081 0.0773 0.2501
Loa Loa (eye worm) hypothetical protein 0.0081 0.0773 0.2501
Loa Loa (eye worm) matrixin family protein 0.0188 0.2017 0.6529
Trichomonas vaginalis protein kinase inhibitor, putative 0.0061 0.0538 0.2033
Onchocerca volvulus Matrilysin homolog 0.0078 0.0736 0.2875
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0117 0.6627
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0017 0.0029 0.0029
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0117 0.6627
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0341 0.1257
Loa Loa (eye worm) AGC/PKN protein kinase 0.0017 0.0029 0.0093
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0176 0.5016
Onchocerca volvulus 0.0081 0.0773 0.3018
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0348 0.0348
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0382 0.1237
Brugia malayi Blistered cuticle protein 3 0.0081 0.0773 0.2475
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0011 0.0033
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0029 0.0026
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0282 0.3117 0.3117
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0341 0.1257
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.006 0.0192
Brugia malayi Peroxidasin 0.0081 0.0773 0.2475
Schistosoma mansoni lamin 0.0033 0.0212 0.0646
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0017 0.0029 0.0029
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0348 0.1128
Brugia malayi Animal haem peroxidase family protein 0.0081 0.0773 0.2475
Schistosoma mansoni hypothetical protein 0.0164 0.1743 0.5317
Schistosoma mansoni hypothetical protein 0.011 0.1113 0.3397
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0117 0.6403
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0011 0.0011
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0029 0.0087
Schistosoma mansoni alpha glucosidase 0.0044 0.0341 0.104
Schistosoma mansoni peroxidasin 0.0081 0.0773 0.2357
Schistosoma mansoni hypothetical protein 0.0102 0.1025 0.3126
Echinococcus granulosus protein kinase c epsilon type 0.0031 0.0196 0.0628
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0382 0.1226
Entamoeba histolytica hypothetical protein 0.007 0.0653 0.5936
Loa Loa (eye worm) MBCTL1 0.0054 0.0458 0.1483
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0493 0.1567
Brugia malayi Matrixin family protein 0.0078 0.0736 0.2356
Schistosoma mansoni intermediate filament proteins 0.0033 0.0212 0.0646
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0171 0.9662
Echinococcus multilocularis RUN 0.0019 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0015 0.0009 0.0029
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0282 0.3117 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.2123 0.6874
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0017 0.0029 0.0093
Echinococcus multilocularis serine:threonine protein kinase N2 0.0017 0.0029 0.0029
Brugia malayi mbt repeat family protein 0.0047 0.0382 0.1206
Echinococcus multilocularis musashi 0.0033 0.0212 0.0212
Schistosoma mansoni alpha-glucosidase 0.0169 0.1804 0.5504
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0176 0.0538
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0036 0.0081
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1084 0.4185
Echinococcus multilocularis peroxidasin 0.0081 0.0773 0.0773
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0011 0.0011
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0029 0.0026
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0212 0.0686
Brugia malayi 6-phosphofructokinase 0.0107 0.1084 0.3487
Echinococcus multilocularis lamin 0.0033 0.0212 0.0212
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.006 0.006
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0017 0.0029 0.0093
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1084 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0022 0.0072
Schistosoma mansoni hypothetical protein 0.0287 0.3171 0.9675
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2123 0.2123
Brugia malayi 6-phosphofructokinase 0.0107 0.1084 0.3487
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0212 0.0653
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0107 0.1084 1
Trypanosoma brucei RNA helicase, putative 0.0102 0.1025 0.9444
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0212 0.0686
Brugia malayi protein kinase C II. 0.0031 0.0196 0.0601
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0348 0.1063
Schistosoma mansoni hypothetical protein 0.007 0.0653 0.1991
Loa Loa (eye worm) hypothetical protein 0.0017 0.0029 0.0093
Onchocerca volvulus 0.0019 0.006 0.0234
Brugia malayi intermediate filament protein 0.0033 0.0212 0.0653
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0107 0.1084 1
Brugia malayi Bromodomain containing protein 0.0029 0.0168 0.0512
Echinococcus granulosus RUN 0.0019 0.006 0.0192
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0171 0.4847
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0176 0.0566
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0171 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0736 0.2383
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0341 0.3076
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1084 0.4185
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0016 0.0016
Echinococcus granulosus geminin 0.0164 0.1743 0.5592
Loa Loa (eye worm) hypothetical protein 0.0081 0.0773 0.2501

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3323 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.1345 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 29.9068 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 (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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