Detailed information for compound 801826

Basic information

Technical information
  • TDR Targets ID: 801826
  • Name: N-(2-ethoxyphenyl)-4-oxo-5H-thieno[4,5-c]quin oline-2-carboxamide
  • MW: 364.418 | Formula: C20H16N2O3S
  • H donors: 2 H acceptors: 2 LogP: 3.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1NC(=O)c1cc2c(s1)c1ccccc1[nH]c2=O
  • InChi: 1S/C20H16N2O3S/c1-2-25-16-10-6-5-9-15(16)22-20(24)17-11-13-18(26-17)12-7-3-4-8-14(12)21-19(13)23/h3-11H,2H2,1H3,(H,21,23)(H,22,24)
  • InChiKey: PKFNGWCYVJGASR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-ethoxyphenyl)-4-keto-5H-thieno[4,5-c]quinoline-2-carboxamide
  • C448-0324
  • NCGC00108362-01
  • EU-0093065

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase 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
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
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_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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Muscleblind-like protein 0.0133 0.1241 0.1609
Schistosoma mansoni microtubule-associated protein tau 0.0674 0.8431 1
Toxoplasma gondii hypothetical protein 0.0059 0.0253 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.1722 0.2042
Schistosoma mansoni alpha glucosidase 0.0044 0.0051 0.0061
Mycobacterium ulcerans hypothetical protein 0.0192 0.2024 0.5
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.075 0.0961
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.2024 0.5
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0074 0.0458 0.0543
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0051 0.0042
Onchocerca volvulus 0.0114 0.0983 0.7717
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0051 0.0032
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.2086 0.2456
Echinococcus granulosus expressed conserved protein 0.009 0.0672 0.0775
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.1765 0.4016
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0051 1
Echinococcus multilocularis expressed conserved protein 0.009 0.0672 0.0654
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.4318 1
Brugia malayi hypothetical protein 0.0211 0.2273 0.2968
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0051 0.0038
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.075 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0302 0.0587
Echinococcus multilocularis protein dispatched 1 0.0047 0.0097 0.0078
Loa Loa (eye worm) hypothetical protein 0.0051 0.0143 0.0163
Loa Loa (eye worm) hypothetical protein 0.0613 0.7611 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.2273 0.2968
Schistosoma mansoni hypothetical protein 0.0043 0.0043 0.0051
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0153 0.0237
Echinococcus multilocularis muscleblind protein 0.0133 0.1241 0.1224
Onchocerca volvulus 0.0135 0.1262 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0051 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0051 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.1722 0.2042
Echinococcus granulosus survival motor neuron protein 1 0.0211 0.2273 0.2679
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0051 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.075 0.0961
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0051 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0389 0.0487
Loa Loa (eye worm) hypothetical protein 0.0135 0.1262 0.1636
Brugia malayi hypothetical protein 0.0135 0.1262 0.1636
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0051 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0153 0.0237
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.075 0.0731
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0051 0.0042
Loa Loa (eye worm) hypothetical protein 0.0133 0.1241 0.1609
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1765 0.4016
Echinococcus multilocularis microtubule associated protein 2 0.0674 0.8431 0.8428
Echinococcus granulosus muscleblind protein 0.0133 0.1241 0.1452
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0613 0.7611 1
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.075 0.0868
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0153 0.0237
Loa Loa (eye worm) hypothetical protein 0.0133 0.1241 0.1609
Echinococcus multilocularis survival motor neuron protein 1 0.0211 0.2273 0.2258
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.4318 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0458 0.0577
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.1298 0.1281
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2086 0.207
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0153 0.0237
Loa Loa (eye worm) hypothetical protein 0.0613 0.7611 1
Echinococcus granulosus microtubule associated protein 2 0.0674 0.8431 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.4318 1
Onchocerca volvulus 0.0074 0.0458 0.3403
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0051 1
Schistosoma mansoni patched 1 0.0041 0.002 0.0023
Echinococcus multilocularis muscleblind protein 1 0.0133 0.1241 0.1224
Onchocerca volvulus 0.0074 0.0458 0.3403
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0051 1
Onchocerca volvulus 0.0074 0.0458 0.3403
Brugia malayi NNMT/PNMT/TEMT family protein 0.0613 0.7611 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1765 0.4016
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2086 0.207
Brugia malayi Cation transporter family protein 0.0074 0.0458 0.0577
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0074 0.0458 0.0543
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.4318 1
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.1298 0.152
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0043 0.0043 0.003
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.2086 0.2722
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0769 0.0912
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.2086 0.2722
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0051 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0458 0.0577
Schistosoma mansoni survival motor neuron protein 0.0043 0.0043 0.0051

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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