TDR Targets

Basic information

Technical information

TDR Targets ID: 416909
Name: 2-morpholin-4-yl-6-quinolin-8-ylpyran-4-one
MW: 308.331 | Formula: C18H16N2O3
H donors: 0 H acceptors: 2 LogP: 1.99 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=c1cc(oc(c1)c1cccc2c1nccc2)N1CCOCC1
InChi: 1S/C18H16N2O3/c21-14-11-16(23-17(12-14)20-7-9-22-10-8-20)15-5-1-3-13-4-2-6-19-18(13)15/h1-6,11-12H,7-10H2
InChiKey: GJFZIARIYRYNDJ-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-morpholino-6-(8-quinolyl)pyran-4-one
2-morpholino-6-(8-quinolyl)-4-pyranone
2-morpholin-4-yl-6-quinolin-8-yl-pyran-4-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ATM serine/threonine kinase	Starlite/ChEMBL	References
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
Leishmania donovani	phosphatidylinositol 3-kinase-like protein	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
Candida albicans	similar to putative phosphatidylinositol kinase involved in telomere length regulation	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania infantum	phosphatidylinositol kinase related protein, putative	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
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	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
Neospora caninum	phosphatidylinositol 3- and 4-kinase domain- containing protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	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
Echinococcus multilocularis	serine protein kinase ATM	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
Loa Loa (eye worm)	hypothetical protein	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
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	Get druggable targets OG5_132688	All targets in OG5_132688
Leishmania mexicana	phosphatidylinositol 3-kinase-like 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
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Toxoplasma gondii	FATC domain-containing protein	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
Candida albicans	identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase	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
Leishmania major	phosphatidylinositol kinase related protein, putative	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	DNA dependent protein kinase catalytic subunit	Get druggable targets OG5_132688	All targets in OG5_132688
Leishmania braziliensis	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
Candida albicans	similar to putative phosphatidylinositol kinase involved in telomere length regulation	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	0.0454	0.0454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Echinococcus multilocularis	DNA polymerase alpha catalytic subunit	0.0064	0.1037	0.0648
Toxoplasma gondii	DNA polymerase (pol2) superfamily protein	0.0052	0.0696	0.8283
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.0454	0.1826
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0044	0.0454	0.004
Trichomonas vaginalis	DNA polymerase II, putative	0.0028	0.002	0.002
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0044	0.0454	0.004
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0044	0.0454	0.004
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0385	1	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0044	0.0454	0.0454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0318	0.8126	0.8045
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Toxoplasma gondii	FATC domain-containing protein	0.0042	0.0416	0.4954
Schistosoma mansoni	DNA polymerase alpha catalytic subunit	0.0064	0.1037	0.0648
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0044	0.0454	0.0436
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2489	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Trypanosoma brucei	DNA polymerase alpha catalytic subunit	0.0028	0.002	0.002
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0356	0.9206	0.9204
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0044	0.0454	0.004
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0044	0.0454	0.5409
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.005	0.0634	0.0615
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0044	0.0454	0.0436
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0416	0.0416
Entamoeba histolytica	hypothetical protein, conserved	0.0385	1	1
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0169	0.3952	0.394
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0044	0.0454	0.004
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0044	0.0454	0.0454
Trichomonas vaginalis	conserved hypothetical protein	0.0385	1	1
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0385	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0044	0.0454	0.0454
Toxoplasma gondii	hypothetical protein	0.0057	0.084	1
Mycobacterium ulcerans	hypothetical protein	0.0188	0.4485	0.5
Giardia lamblia	DNA polymerase alpha subunit A	0.0055	0.076	0.032
Echinococcus granulosus	DNA polymerase alpha catalytic subunit	0.0064	0.1037	0.0648
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0061	0.0941	0.0923
Trypanosoma brucei	hypothetical protein, conserved	0.0028	0.0023	0.0023
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Brugia malayi	DNA polymerase alpha catalytic subunit	0.0052	0.0696	0.1349
Trypanosoma brucei	RNA helicase, putative	0.0098	0.1966	0.1966
Trypanosoma brucei	DNA repair and recombination helicase protein PIF6	0.0385	1	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0356	0.9206	0.9204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Trypanosoma brucei	DNA repair and recombination helicase protein PIF7	0.0385	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.2301	0.2286
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0385	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0169	0.3952	0.394
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0044	0.0454	0.0454
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0044	0.0454	0.0436
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0044	0.0454	0.004
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0385	1	1
Trichomonas vaginalis	DNA polymerase alpha catalytic subunit, putative	0.0028	0.002	0.002
Schistosoma mansoni	hypothetical protein	0.0385	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Trypanosoma brucei	unspecified product	0.0028	0.0023	0.0023
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF6, putative	0.0385	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Trypanosoma brucei	ingi protein (ORF1)	0.0028	0.0023	0.0023
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0044	0.0454	0.0436
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Leishmania major	hypothetical protein, conserved	0.0118	0.2537	0.2522
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0042	0.0416	0.0397
Trypanosoma cruzi	target of rapamycin kinase 3	0.0044	0.0454	0.0436
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0034	0.0181	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0181	0.0727
Giardia lamblia	Rrm3p helicase	0.0385	1	1
Echinococcus multilocularis	hypothetical protein	0.0116	0.2489	0.2163
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0044	0.0454	0.0436
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0044	0.0454	0.0436
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0188	0.4485	0.5
Schistosoma mansoni	hypothetical protein	0.0098	0.1966	0.1617
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.005	0.0634	0.0615
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0318	0.8126	0.8045
Onchocerca volvulus	DNA polymerase alpha catalytic subunit homolog	0.0089	0.1713	0.5
Echinococcus multilocularis	ATP dependent DNA helicase PIF1	0.0385	1	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0044	0.0454	0.0436
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0044	0.0454	0.0454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Trypanosoma brucei	ingi protein (ORF1)	0.0028	0.0023	0.0023
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0454	0.0184
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Leishmania major	mitochondrial DNA polymerase beta	0.0356	0.9206	0.9204
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1713	0.6882
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.005	0.0634	0.0634
Entamoeba histolytica	DNA repair and recombination protein, putative	0.0385	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Plasmodium vivax	DNA polymerase alpha, putative	0.0052	0.0696	0.5
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0356	0.9206	0.9206
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0044	0.0454	0.0436
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0454	0.0184
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0044	0.0454	0.0436
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.005	0.0634	0.0615
Brugia malayi	DNA polymerase I family protein	0.0116	0.2489	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0042	0.0416	0.0416
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0044	0.0454	0.004
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.0454	0.1826
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0028	0.0023	0.0023
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0169	0.3952	0.3952
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0044	0.0454	0.004
Schistosoma mansoni	DNA polymerase gamma	0.0116	0.2489	0.2163
Echinococcus granulosus	DNA polymerase subunit gamma	0.0116	0.2489	0.2163
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0454	0.0454

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.9 uM	Inhibition of DNA-PK in HeLa cell nuclear extracts	ChEMBL.	17371003
IC50 (binding)	= 0.9 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: CHEMBL223041
PubChem: 16204049

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 416909