TDR Targets

Basic information

Technical information

TDR Targets ID: 417237
Name: 2-morpholin-4-yl-6-(4-phenylmethoxyphenyl)pyr an-4-one
MW: 363.406 | Formula: C22H21NO4
H donors: 0 H acceptors: 1 LogP: 3.19 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=c1cc(oc(c1)c1ccc(cc1)OCc1ccccc1)N1CCOCC1
InChi: 1S/C22H21NO4/c24-19-14-21(27-22(15-19)23-10-12-25-13-11-23)18-6-8-20(9-7-18)26-16-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2
InChiKey: QEXYPSGIECCYPS-UHFFFAOYSA-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

2-(4-benzyloxyphenyl)-6-morpholino-pyran-4-one
2-(4-benzyloxyphenyl)-6-morpholino-4-pyranone
2-(4-benzoxyphenyl)-6-morpholino-pyran-4-one
2-morpholin-4-yl-6-[4-(phenylmethoxy)phenyl]pyran-4-one
2-morpholino-6-[4-(phenylmethoxy)phenyl]pyran-4-one
2-morpholino-6-[4-(phenylmethoxy)phenyl]-4-pyranone
2-[4-(benzyloxy)phenyl]-6-morpholino-pyran-4-one

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	Get druggable targets OG5_132688	All targets in OG5_132688
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	Get druggable targets OG5_132688	All targets in OG5_132688

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	0.0022	0.0271	0.0467
Plasmodium falciparum	histone deacetylase 1	0.0187	0.5795	1
Giardia lamblia	Histone deacetylase	0.0187	0.5795	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0022	0.0271	0.0467
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0022	0.0271	0.0467
Echinococcus multilocularis	histone deacetylase 6	0.0053	0.1326	0.1084
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Trypanosoma cruzi	histone deacetylase 1, putative	0.0187	0.5795	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Loa Loa (eye worm)	histone deacetylase 3	0.0187	0.5795	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0271	0.0467
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1326	0.2288
Trichomonas vaginalis	histone deacetylase, putative	0.0187	0.5795	1
Echinococcus multilocularis	histone deacetylase 1	0.0187	0.5795	0.5678
Trichomonas vaginalis	histone deacetylase, putative	0.0187	0.5795	1
Loa Loa (eye worm)	histone deacetylase 11	0.0053	0.1326	0.2288
Echinococcus multilocularis	histone deacetylase 6	0.0053	0.1326	0.1084
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Loa Loa (eye worm)	histone deacetylase 7A	0.0053	0.1326	0.2288
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0022	0.0271	0.0467
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Toxoplasma gondii	histone deacetylase HDAC4	0.0053	0.1326	0.2288
Leishmania major	histone deacetylase, putative	0.0053	0.1326	0.191
Loa Loa (eye worm)	histone deacetylase	0.0053	0.1326	0.2288
Echinococcus granulosus	histone deacetylase 1	0.0187	0.5795	0.5678
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0187	0.5795	1
Trypanosoma cruzi	histone deacetylase, putative	0.0053	0.1326	0.191
Echinococcus granulosus	histone deacetylase 6	0.0053	0.1326	0.1084
Brugia malayi	Histone deacetylase family protein	0.0053	0.1326	0.191
Trypanosoma cruzi	histone deacetylase, putative	0.0053	0.1326	0.191
Toxoplasma gondii	histone deacetylase HDAC5	0.0053	0.1326	0.2288
Schistosoma mansoni	histone deacetylase 1 2 3	0.0053	0.1326	0.191
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Echinococcus granulosus	histone deacetylase	0.0053	0.1326	0.1084
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0313	1	1
Echinococcus granulosus	histone deacetylase 7	0.0053	0.1326	0.1084
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Schistosoma mansoni	histone deacetylase 4 5	0.0053	0.1326	0.191
Trypanosoma cruzi	histone deacetylase, putative	0.0053	0.1326	0.191
Toxoplasma gondii	histone deacetylase HDAC1	0.0053	0.1326	0.2288
Plasmodium vivax	histone deacetylase 1, putative	0.0187	0.5795	1
Schistosoma mansoni	histone deacetylase 4 5	0.0053	0.1326	0.191
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0022	0.0271	0.0467
Trichomonas vaginalis	histone deacetylase, putative	0.0187	0.5795	1
Schistosoma mansoni	histone deacetylase hda2	0.0053	0.1326	0.191
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Schistosoma mansoni	histone deacetylase	0.0187	0.5795	1
Entamoeba histolytica	histone deacetylase, putative	0.0187	0.5795	1
Brugia malayi	histone deacetylase 11	0.0053	0.1326	0.191
Trypanosoma brucei	histone deacetylase 1	0.0187	0.5795	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Trypanosoma cruzi	histone deacetylase, putative	0.0053	0.1326	0.191
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.32	0.5302
Echinococcus granulosus	histone deacetylase 6	0.0053	0.1326	0.1084
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Loa Loa (eye worm)	histone deacetylase 1	0.0187	0.5795	1
Schistosoma mansoni	histone deacetylase hda2	0.0053	0.1326	0.191
Echinococcus multilocularis	histone deacetylase	0.0053	0.1326	0.1084
Toxoplasma gondii	histone deacetylase HDAC2	0.0187	0.5795	1
Trypanosoma brucei	histone deacetylase, putative	0.0053	0.1326	0.2288
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0053	0.1326	0.5
Trichomonas vaginalis	histone deacetylase, putative	0.0187	0.5795	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0187	0.5795	1
Echinococcus granulosus	histone deacetylase 6	0.0053	0.1326	0.1084
Trichomonas vaginalis	histone deacetylase, putative	0.0187	0.5795	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Brugia malayi	Histone deacetylase 1	0.0187	0.5795	1
Trypanosoma brucei	histone deacetylase 4	0.0053	0.1326	0.2288
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Trypanosoma cruzi	histone deacetylase, putative	0.0053	0.1326	0.191
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0.0271	0.0467
Brugia malayi	histone deacetylase 3 (HD3)	0.0187	0.5795	1
Echinococcus granulosus	histone deacetylase 3	0.0187	0.5795	0.5678
Echinococcus multilocularis	histone deacetylase 6	0.0053	0.1326	0.1084
Echinococcus multilocularis	histone deacetylase 3	0.0187	0.5795	0.5678
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Schistosoma mansoni	histone deacetylase	0.0187	0.5795	1
Trypanosoma brucei	histone deacetylase 2	0.0053	0.1326	0.2288
Echinococcus granulosus	histone deacetylase 8	0.0053	0.1326	0.1084
Brugia malayi	histone deacetylase 1 (HD1)	0.0187	0.5795	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0187	0.5795	1
Trypanosoma brucei	histone deacetylase 3	0.0053	0.1326	0.2288
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Leishmania major	hypothetical protein, conserved	0.0114	0.334	0.5556
Loa Loa (eye worm)	hypothetical protein	0.0187	0.5795	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.0187	0.5795	1
Echinococcus multilocularis	histone deacetylase 8	0.0053	0.1326	0.1084
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Brugia malayi	Histone deacetylase family protein	0.0053	0.1326	0.191
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Trichomonas vaginalis	histone deacetylase, putative	0.0187	0.5795	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0271	0.0467
Echinococcus multilocularis	histone deacetylase 7	0.0053	0.1326	0.1084
Leishmania major	histone deacetylase, putative	0.0187	0.5795	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	0.0467
Toxoplasma gondii	histone deacetylase HDAC3	0.0187	0.5795	1
Leishmania major	histone deacetylase, putative	0.0053	0.1326	0.191
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0022	0.0271	0.0467
Leishmania major	histone deacetylase, putative	0.0187	0.5795	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.91 uM	Inhibition of DNA-PK in HeLa cell nuclear extracts	ChEMBL.	17371003
IC50 (binding)	= 0.91 uM	Inhibition of DNA-PK in HeLa cell nuclear extracts	ChEMBL.	17371003
IC50 (binding)	> 100 uM	Inhibition of ATM kinase	ChEMBL.	17371003
IC50 (binding)	> 100 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: CHEMBL225796
PubChem: 19088789

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 417237