Detailed information for compound 1347630

Basic information

Technical information
  • TDR Targets ID: 1347630
  • Name: ethyl 5-methyl-4-oxo-3-[2-oxo-2-(oxolan-2-ylm ethylamino)ethyl]thieno[5,4-d]pyrimidine-6-ca rboxylate
  • MW: 379.431 | Formula: C17H21N3O5S
  • H donors: 1 H acceptors: 3 LogP: 1.57 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1sc2c(c1C)c(=O)n(cn2)CC(=O)NCC1CCCO1
  • InChi: 1S/C17H21N3O5S/c1-3-24-17(23)14-10(2)13-15(26-14)19-9-20(16(13)22)8-12(21)18-7-11-5-4-6-25-11/h9,11H,3-8H2,1-2H3,(H,18,21)
  • InChiKey: QIYJMJXTVQZSHW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 5-methyl-4-oxo-3-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]thieno[5,4-d]pyrimidine-6-carboxylate
  • 5-methyl-4-oxo-3-[2-oxo-2-(2-tetrahydrofuranylmethylamino)ethyl]-6-thieno[5,4-d]pyrimidinecarboxylic acid ethyl ester
  • 4-keto-3-[2-keto-2-(tetrahydrofurfurylamino)ethyl]-5-methyl-thieno[5,4-d]pyrimidine-6-carboxylic acid ethyl ester
  • MLS000086198
  • SMR000021707
  • EU-0054223
  • ethyl 5-methyl-4-oxo-3-{2-oxo-2-[(tetrahydrofuran-2-ylmethyl)amino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Echinococcus granulosus lysosomal 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
Echinococcus multilocularis 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
Schistosoma mansoni alpha-glucosidase 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
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], 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 closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase 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
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
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
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
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0 0.5
Brugia malayi Alcohol dehydrogenase class III 0.0164 0.7858 0.7858
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0164 0.7858 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0 0.5
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0164 0.7858 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.821 1
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0164 0.7858 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0044 0 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 1 1
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0164 0.7858 0.5
Schistosoma mansoni alcohol dehydrogenase 0.0164 0.7858 0.9571
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0164 0.7858 0.5
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0164 0.7858 0.5
Trypanosoma brucei glucosidase, putative 0.0044 0 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.821 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 1 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0 0.5
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0164 0.7858 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0 0.5
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0164 0.7858 0.5
Onchocerca volvulus Putative alcohol dehydrogenase 0.0164 0.7858 1
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0164 0.7858 0.7858
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2995 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 5.8584 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) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.
 
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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