Detailed information for compound 1281161

Basic information

Technical information
  • TDR Targets ID: 1281161
  • Name: 9-(phenylmethoxy)-4-(2-pyrrolidin-1-ylacetyl) -2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one
  • MW: 418.485 | Formula: C25H26N2O4
  • H donors: 0 H acceptors: 2 LogP: 3.44 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCCc2c1c(=O)oc1c2cc(cc1)OCc1ccccc1)CN1CCCC1
  • InChi: 1S/C25H26N2O4/c28-23(16-26-12-4-5-13-26)27-14-6-9-20-21-15-19(30-17-18-7-2-1-3-8-18)10-11-22(21)31-25(29)24(20)27/h1-3,7-8,10-11,15H,4-6,9,12-14,16-17H2
  • InChiKey: LDPNMAIEXWXDEO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1-oxo-2-1-pyrrolidinylethyl)-9-(phenylmethoxy)-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one
  • 9-(benzyloxy)-4-(2-pyrrolidin-1-ylacetyl)-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one
  • 9-(phenylmethoxy)-4-(2-pyrrolidin-1-ylethanoyl)-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one
  • MLS000043268
  • SMR000019888
  • 9-(benzyloxy)-4-(pyrrolidin-1-ylacetyl)-1,2,3,4-tetrahydro-5H-chromeno[3,4-b]pyridin-5-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Neospora caninum MGC84926 protein, related 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
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Huntingtin homolog 0.0148 0.0507 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0074 0.0031
Toxoplasma gondii thioredoxin reductase 0.0057 0.0178 0.0136
Loa Loa (eye worm) hypothetical protein 0.0148 0.0507 0.0498
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0335 0.0326
Echinococcus multilocularis cpg binding protein 0.0037 0.0104 0.0102
Trypanosoma brucei fructose-1,6-bisphosphatase 0.2769 1 1
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0335 0.0333
Loa Loa (eye worm) hypothetical protein 0.0033 0.0089 0.0079
Schistosoma mansoni hypothetical protein 0.0019 0.0041 0.0038
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2769 1 1
Plasmodium falciparum glutathione reductase 0.0057 0.0178 1
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0178 0.0168
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.0074 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.0249 0.0246
Plasmodium vivax glutathione reductase, putative 0.0057 0.0178 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0238 0.0235
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0335 0.0333
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0496 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.0985 0.0975
Schistosoma mansoni lamin 0.0033 0.0089 0.0087
Toxoplasma gondii fructose-bisphospatase II 0.2769 1 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0507 0.0498
Plasmodium falciparum thioredoxin reductase 0.0057 0.0178 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.0074 0.0676
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0041 0.0031
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0043 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.0024 0.0014
Echinococcus multilocularis lamin 0.0033 0.0089 0.0087
Brugia malayi Muscleblind-like protein 0.018 0.0625 0.0616
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0249 0.0246
Loa Loa (eye worm) RNA binding protein 0.0076 0.0249 0.0238
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0074 0.0031
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.103 0.3701 0.3674
Schistosoma mansoni hypothetical protein 0.0041 0.0121 0.0118
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0249 0.0246
Brugia malayi hypothetical protein 0.0148 0.0507 0.0498
Brugia malayi Thioredoxin reductase 0.0057 0.0178 0.0169
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.103 0.3701 0.3674
Echinococcus multilocularis muscleblind protein 0.018 0.0625 0.0622
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0496 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0026 0.0016
Leishmania major 0.2769 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0041 0.0031
Echinococcus multilocularis lamin dm0 0.0033 0.0089 0.0087
Loa Loa (eye worm) hypothetical protein 0.01 0.0335 0.0325
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0443 0.8837
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0443 0.8837
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.019 0.018
Schistosoma mansoni fructose-16-bisphosphatase-related 0.2769 1 1
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.2769 1 1
Echinococcus granulosus GPCR family 2 0.0019 0.0041 0.0038
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0249 0.0246
Echinococcus granulosus intermediate filament protein 0.0033 0.0089 0.0087
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.2769 1 1
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.0074 1
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.103 0.3701 0.3674
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0043 0.004
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0028 0.0026
Loa Loa (eye worm) glutathione reductase 0.0057 0.0178 0.0168
Schistosoma mansoni cpg binding protein 0.0037 0.0104 0.0102
Echinococcus granulosus lamin dm0 0.0033 0.0089 0.0087
Loa Loa (eye worm) hypothetical protein 0.0015 0.0026 0.0016
Echinococcus granulosus lamin 0.0033 0.0089 0.0087
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.0024 0.0014
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0074 1
Schistosoma mansoni cpg binding protein 0.0037 0.0104 0.0102
Schistosoma mansoni cpg binding protein 0.0035 0.0097 0.0094
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2769 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0178 0.0176
Echinococcus multilocularis GPCR, family 2 0.0019 0.0041 0.0038
Brugia malayi glutathione reductase 0.0057 0.0178 0.0169
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0443 0.8837
Onchocerca volvulus 0.01 0.0335 0.5879
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0178 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0097 0.0087
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0043 0.0033
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0035 0.0025
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0089 0.0079
Onchocerca volvulus Huntingtin homolog 0.0148 0.0507 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0097 0.0087
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0089 0.0079
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0178 0.0176
Loa Loa (eye worm) hypothetical protein 0.018 0.0625 0.0615
Loa Loa (eye worm) hypothetical protein 0.0041 0.0121 0.011
Loa Loa (eye worm) hypothetical protein 0.0032 0.0087 0.0077
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.1761 0.1758
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.0443 0.8753
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0178 0.2985
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.021 0.0167
Echinococcus granulosus dnaJ subfamily B 0.0494 0.1761 0.1758
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0496 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0041 0.0038
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0041 0.0038
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0249 0.0238
Schistosoma mansoni hypothetical protein 0.0019 0.0041 0.0038
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0249 0.0246
Brugia malayi follicle stimulating hormone receptor 0.028 0.0985 0.0976
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0121 0.0111
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0496 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0089 0.008
Brugia malayi TAR-binding protein 0.0076 0.0249 0.0239
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0249 0.0246
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0041 0.0038
Echinococcus multilocularis musashi 0.0033 0.0089 0.0087
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.0074 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0043 0.004
Schistosoma mansoni intermediate filament proteins 0.0033 0.0089 0.0087
Entamoeba histolytica hypothetical protein 0.0028 0.0074 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0028 0.0018
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0074 0.0031
Onchocerca volvulus 0.0035 0.0097 0.0183
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0074 0.2265
Brugia malayi intermediate filament protein 0.0033 0.0089 0.008
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.103 0.3701 0.3674
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0035 0.0024
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0041 0.0038
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0178 0.0136
Loa Loa (eye worm) hypothetical protein 0.0019 0.0041 0.003
Echinococcus granulosus cpg binding protein 0.0037 0.0104 0.0102
Toxoplasma gondii fructose-bisphospatase I 0.103 0.3701 0.3674
Schistosoma mansoni lamin 0.0033 0.0089 0.0087
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0041 0.003
Echinococcus granulosus fructose 16 bisphosphatase 1 0.2769 1 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0028 0.0026
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.3518 0.3517
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0249 0.0239
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.0074 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0043 0.004
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.001 0.0008
Echinococcus granulosus muscleblind protein 0.018 0.0625 0.0622
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0043 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0443 0.8837
Trypanosoma brucei trypanothione reductase 0.0057 0.0178 0.0136
Loa Loa (eye worm) hypothetical protein 0.006 0.019 0.0179
Mycobacterium tuberculosis Probable reductase 0.013 0.0443 0.8837
Loa Loa (eye worm) hypothetical protein 0.018 0.0625 0.0615
Leishmania major trypanothione reductase 0.0057 0.0178 0.0136
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0043 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0335 0.0333
Schistosoma mansoni hypothetical protein 0.0019 0.0041 0.0038
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0249 0.0246
Echinococcus multilocularis muscleblind protein 1 0.018 0.0625 0.0622
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0074 0.0031
Schistosoma mansoni hypothetical protein 0.0019 0.0041 0.0038
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.019 0.018
Schistosoma mansoni hypothetical protein 0.0494 0.1761 0.1758
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0443 0.8837
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0074 0.2265
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0249 0.0238
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.019 0.0179
Brugia malayi RNA binding protein 0.0076 0.0249 0.0239
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.001 0.0008

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.2387 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) 3.2643 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (binding) 10 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.5068 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) = 39.8107 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) 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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