TDR Targets

Basic information

Technical information

TDR Targets ID: 346910
Name: 2-morpholin-4-yl-7-[(1-oxidopyridin-1-ium-2-y l)methoxy]chromen-4-one
MW: 354.357 | Formula: C19H18N2O5
H donors: 0 H acceptors: 2 LogP: 0.94 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: [O-][n+]1ccccc1COc1ccc2c(c1)oc(cc2=O)N1CCOCC1
InChi: 1S/C19H18N2O5/c22-17-12-19(20-7-9-24-10-8-20)26-18-11-15(4-5-16(17)18)25-13-14-3-1-2-6-21(14)23/h1-6,11-12H,7-10,13H2
InChiKey: MCSACTQMQMRTIG-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-7-[(1-oxidopyridin-1-ium-2-yl)methoxy]chromen-4-one
2-morpholino-7-[(1-oxido-2-pyridin-1-iumyl)methoxy]-1-benzopyran-4-one
2-morpholin-4-yl-7-[(1-oxidanidylpyridin-1-ium-2-yl)methoxy]chromen-4-one
2-morpholino-7-[(1-oxidopyridin-1-ium-2-yl)methoxy]chromone
2-morpholino-7-[(1-oxido-2-pyridin-1-iumyl)methoxy]-4-chromenone

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
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0022	0.0117	0.0362
Onchocerca volvulus		0.0094	0.2563	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.9257	1
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.3092	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.0599	0.085
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0022	0.0117	0.0379
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Trypanosoma cruzi	target of rapamycin kinase 3	0.0022	0.0117	0.0379
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0163	0.4885	0.6929
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0036	0.0599	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.0117	0.0166
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0142	0.4204	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0022	0.0117	0.0117
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.0599	0.085
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0599	0.0647
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0117	0.0166
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.9257	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0292	0.9257	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0	0.5
Echinococcus granulosus	lysosomal alpha glucosidase	0.0163	0.4885	0.4885
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0142	0.4204	1
Schistosoma mansoni	alpha glucosidase	0.0036	0.0599	0.1455
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.9257	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0292	0.9257	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.9257	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0022	0.0117	0.0362
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.9257	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0022	0.0117	0.1954
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0292	0.9257	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0163	0.4885	0.4885
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0599	0.1937
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0036	0.0599	0.0599
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0117	0.0166
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0599	0.0647
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0599	0.0647
Trypanosoma brucei	glucosidase, putative	0.0036	0.0599	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0022	0.0117	0.0117
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0036	0.0599	0.0647
Leishmania major	hypothetical protein, conserved	0.0114	0.3235	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0022	0.0117	0.1954
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Brugia malayi	follicle stimulating hormone receptor	0.0226	0.705	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Schistosoma mansoni	alpha-glucosidase	0.014	0.4118	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.9257	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0022	0.0117	0.1954
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0022	0.0117	0.0379
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0022	0.0117	0.1954
Treponema pallidum	fructose-bisphosphate aldolase	0.0292	0.9257	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Leishmania major	alpha glucosidase II subunit, putative	0.0036	0.0599	0.1852
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0313	1	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0022	0.0117	0.0362
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0022	0.0117	0.0117
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0022	0.0117	0.1954
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0599	0.0647
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0163	0.4885	0.6929
Giardia lamblia	GTOR	0.0022	0.0117	0.0126
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.9257	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0599	0.0647
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0.0117	0.1954
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0022	0.0117	0.0379
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0022	0.0117	0.0126
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0599	0.0647
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0022	0.0117	0.0362
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.9257	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0599	0.0647
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0599	0.0647
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0022	0.0117	0.0362
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0	0.5
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0599	0.0647
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0163	0.4885	0.4885
Schistosoma mansoni	alpha-glucosidase	0.014	0.4118	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0022	0.0117	0.0379
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0022	0.0117	0.0126
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0142	0.4204	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0022	0.0117	0.0284
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0	0.5
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0036	0.0599	0.0647
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0117	0.0126
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0022	0.0117	0.0284
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0599	0.1937
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0022	0.0117	0.0117
Echinococcus granulosus	neutral alpha glucosidase AB	0.0036	0.0599	0.0599
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0226	0.705	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.0117	0.0166

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 9.32 uM	Inhibitory activity against DNA-dependent protein kinase receptor	ChEMBL.	16302822
IC50 (binding)	= 9.32 uM	Inhibitory activity against DNA-dependent protein kinase receptor	ChEMBL.	16302822

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

PubChem: 11696073

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 346910