TDR Targets

Basic information

Technical information

TDR Targets ID: 417769
Name: methyl (E)-3-[3-(6-morpholin-4-yl-4-oxopyran- 2-yl)phenyl]prop-2-enoate
MW: 341.358 | Formula: C19H19NO5
H donors: 0 H acceptors: 2 LogP: 2 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)/C=C/c1cccc(c1)c1cc(=O)cc(o1)N1CCOCC1
InChi: 1S/C19H19NO5/c1-23-19(22)6-5-14-3-2-4-15(11-14)17-12-16(21)13-18(25-17)20-7-9-24-10-8-20/h2-6,11-13H,7-10H2,1H3/b6-5+
InChiKey: MROMPAMABKXBMM-AATRIKPKSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

methyl (E)-3-[3-(6-morpholino-4-oxo-pyran-2-yl)phenyl]prop-2-enoate
(E)-3-[3-(6-morpholino-4-oxo-2-pyranyl)phenyl]-2-propenoic acid methyl ester
methyl (E)-3-[3-(6-morpholin-4-yl-4-oxo-pyran-2-yl)phenyl]prop-2-enoate
(E)-3-[3-(4-keto-6-morpholino-pyran-2-yl)phenyl]acrylic acid methyl ester
(E)-3-[3-(6-morpholino-4-oxo-2-pyranyl)phenyl]prop-2-enoic acid methyl ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	protein kinase, DNA-activated, catalytic polypeptide	Starlite/ChEMBL	References
Homo sapiens	ATM serine/threonine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Toxoplasma gondii	FATC domain-containing protein	Get druggable targets OG5_128955	All targets in OG5_128955
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	Get druggable targets OG5_132688	All targets in OG5_132688
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Neospora caninum	phosphatidylinositol 3- and 4-kinase domain- containing protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania major	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania mexicana	phosphatidylinositol 3-kinase-like protein	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania braziliensis	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Candida albicans	similar to putative phosphatidylinositol kinase involved in telomere length regulation	Get druggable targets OG5_128955	All targets in OG5_128955
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus granulosus	serine protein kinase ATM	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	Get druggable targets OG5_132688	All targets in OG5_132688
Leishmania infantum	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma brucei gambiense	phosphatidylinositol kinase domain protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Candida albicans	similar to putative phosphatidylinositol kinase involved in telomere length regulation	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania donovani	phosphatidylinositol 3-kinase-like protein	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus multilocularis	serine protein kinase ATM	Get druggable targets OG5_128955	All targets in OG5_128955
Candida albicans	identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	ko:K04728 ataxia telangectasia mutated family protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.0603	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0044	0.0603	0.1913
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0044	0.0603	0.005
Giardia lamblia	GTOR	0.0044	0.0603	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0044	0.0603	0.1913
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0034	0.0268	0.0937
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.2866	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0044	0.0603	0.2106
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0044	0.0603	0.2106
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0268	0.3982
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0044	0.0603	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0044	0.0603	0.2106
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0044	0.0603	0.005
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0044	0.0603	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Toxoplasma gondii	FATC domain-containing protein	0.0042	0.0557	0.9159
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0042	0.0557	0.9159
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Leishmania major	hypothetical protein, conserved	0.0118	0.3154	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0044	0.0603	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0044	0.0603	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0044	0.0603	0.005
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0044	0.0603	0.2106
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0557	0.9159
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0318	1	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0044	0.0603	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0044	0.0603	0.1913
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0044	0.0603	0.005
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0044	0.0603	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.0044	0.0603	0.2106
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0044	0.0603	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0603	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0042	0.0557	0.1942
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0044	0.0603	0.1913
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0603	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0044	0.0603	0.1913
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.0603	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.1 uM	Inhibition of DNA-PK in HeLa cell nuclear extracts	ChEMBL.	17371003
IC50 (binding)	= 1.1 uM	Inhibition of DNA-PK in HeLa cell nuclear extracts	ChEMBL.	17371003
IC50 (binding)	> 10 uM	Inhibition of ATM kinase	ChEMBL.	17371003
IC50 (binding)	> 10 uM	Inhibition of ATM kinase	ChEMBL.	17371003

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

ChEMBL: CHEMBL223667
PubChem: 16203836

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 417769