Detailed information for compound 566920

Basic information

Technical information
  • TDR Targets ID: 566920
  • Name: N-(2-morpholinoethyl)-6-oxo-pyran-3-carboxami de
  • MW: 252.266 | Formula: C12H16N2O4
  • H donors: 1 H acceptors: 2 LogP: -0.56 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1ccc(co1)C(=O)NCCN1CCOCC1
  • InChi: 1S/C12H16N2O4/c15-11-2-1-10(9-18-11)12(16)13-3-4-14-5-7-17-8-6-14/h1-2,9H,3-8H2,(H,13,16)
  • InChiKey: GNTRTSSCLSZLOA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-morpholinoethyl)-6-oxo-3-pyrancarboxamide
  • N-(2-morpholin-4-ylethyl)-6-oxo-pyran-3-carboxamide
  • 6-keto-N-(2-morpholinoethyl)pyran-3-carboxamide
  • N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide
  • MLS000081553
  • SMR000042976
  • STOCK4S-00286

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.6649 0.7277
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.8854 1
Schistosoma mansoni cpg binding protein 0.0034 0.4619 0.4619
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.2307 0.2903
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.3378 1
Schistosoma mansoni cpg binding protein 0.0032 0.4331 0.4331
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.2298 0.1826
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.2307 0.5
Schistosoma mansoni hypothetical protein 0.0012 0.1115 0.1115
Schistosoma mansoni hypothetical protein 0.0019 0.2298 0.2298
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.1115 0.0955
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.3378 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.6649 0.6649
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0839 0.0504
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.2307 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0839 0.0504
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0531 0.0531
Loa Loa (eye worm) hypothetical protein 0.0041 0.5807 0.6217
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.2307 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.6649 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.2307 0.5
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.1115 0.0955
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.3378 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.2307 0.2903
Schistosoma mansoni hypothetical protein 0.0019 0.2298 0.2298
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.883 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.2298 0.1846
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.2307 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.2298 0.2889
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.2307 0.1857
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.6649 0.6649
Onchocerca volvulus 0.0032 0.4331 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.2298 0.2889
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.3378 0.1637
Schistosoma mansoni hypothetical protein 0.0019 0.2298 0.2298
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.6649 1
Brugia malayi hypothetical protein 0.0026 0.3378 0.3194
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.883 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.6649 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.2307 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.883 1
Echinococcus granulosus GPCR family 2 0.0019 0.2298 0.2889
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5807 0.6226
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.6649 0.727
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.2298 0.2889
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.2307 1
Echinococcus multilocularis cpg binding protein 0.0034 0.4619 0.6683
Schistosoma mansoni ap endonuclease 0.0019 0.2307 0.2307
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.2298 0.2889
Loa Loa (eye worm) hypothetical protein 0.0019 0.2298 0.1826
Brugia malayi Latrophilin receptor protein 2 0.0019 0.2298 0.1846
Schistosoma mansoni cpg binding protein 0.0034 0.4619 0.4619
Schistosoma mansoni hypothetical protein 0.0019 0.2298 0.2298
Schistosoma mansoni hypothetical protein 0.0041 0.5807 0.5807
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.3378 1
Brugia malayi CXXC zinc finger family protein 0.0032 0.4331 0.4384
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.3378 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.6649 0.6649
Echinococcus multilocularis GPCR, family 2 0.0019 0.2298 0.2889
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.2307 0.1836
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.6649 1
Schistosoma mansoni ap endonuclease 0.0019 0.2307 0.2307
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.4331 0.437
Leishmania major hypothetical protein, conserved 0.0026 0.3378 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.3378 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.2307 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.883 1
Brugia malayi hypothetical protein 0.0017 0.1924 0.1379
Loa Loa (eye worm) hypothetical protein 0.0026 0.3378 0.3177
Echinococcus granulosus cpg binding protein 0.0034 0.4619 0.6683

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7667 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 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

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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