TDR Targets

Basic information

Technical information

TDR Targets ID: 347032
Name: 2-morpholin-4-yl-7-[(1-oxidopyridin-1-ium-4-y l)methoxy]chromen-4-one
MW: 354.357 | Formula: C19H18N2O5
H donors: 0 H acceptors: 2 LogP: 0.9 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: [O-][n+]1ccc(cc1)COc1ccc2c(c1)oc(cc2=O)N1CCOCC1
InChi: 1S/C19H18N2O5/c22-17-12-19(20-7-9-24-10-8-20)26-18-11-15(1-2-16(17)18)25-13-14-3-5-21(23)6-4-14/h1-6,11-12H,7-10,13H2
InChiKey: ITULRNNVPBCENL-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-4-yl)methoxy]chromen-4-one
2-morpholino-7-[(1-oxido-4-pyridin-1-iumyl)methoxy]-1-benzopyran-4-one
2-morpholin-4-yl-7-[(1-oxidanidylpyridin-1-ium-4-yl)methoxy]chromen-4-one
2-morpholino-7-[(1-oxidopyridin-1-ium-4-yl)methoxy]chromone
2-morpholino-7-[(1-oxido-4-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 granulosus	DNA dependent protein kinase catalytic subunit	Get druggable targets OG5_132688	All targets in OG5_132688
Echinococcus multilocularis	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
Loa Loa (eye worm)	hypothetical protein	0.0078	0.193	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0078	0.193	0.193
Loa Loa (eye worm)	hypothetical protein	0.0078	0.193	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0078	0.193	0.193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0078	0.193	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0041	0.0666	0.0666
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0078	0.193	1
Brugia malayi	Nuclear hormone receptor E75	0.0037	0.0515	0.2667
Echinococcus multilocularis	ecdysone induced protein 78C	0.0078	0.193	0.193
Brugia malayi	orphan nuclear receptor NR2E1	0.0037	0.0515	0.2667
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor	0.0037	0.0515	0.2667
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0515	0.2667
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0041	0.0666	0.3452
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0515	0.2667
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0078	0.193	1
Schistosoma mansoni	thyroid hormone receptor	0.0078	0.193	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0078	0.193	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0078	0.193	0.193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0515	0.2667
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0515	0.2667
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0078	0.193	0.193
Loa Loa (eye worm)	hypothetical protein	0.0078	0.193	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0078	0.193	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0078	0.193	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0022	0	0.5
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0037	0.0515	0.0515
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0037	0.0515	0.0515
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0078	0.193	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0041	0.0666	0.3452
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0078	0.193	0.193
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0078	0.193	0.193
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0078	0.193	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0515	0.2667
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0037	0.0515	0.0515
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0037	0.0515	0.0515
Echinococcus granulosus	nuclear receptor nhr 48	0.0037	0.0515	0.0515
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0666	0.3452
Brugia malayi	nuclear receptor NHR-67	0.0037	0.0515	0.2667
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0515	0.2667
Loa Loa (eye worm)	hypothetical protein	0.0078	0.193	1
Brugia malayi	hypothetical protein	0.0041	0.0666	0.3452
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0666	0.3452
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0078	0.193	0.193
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0666	0.3452
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0078	0.193	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0078	0.193	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0078	0.193	1
Loa Loa (eye worm)	DR-78	0.0037	0.0515	0.2667
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0078	0.193	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0078	0.193	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0078	0.193	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0078	0.193	0.193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0515	0.2667
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0037	0.0515	0.2667
Loa Loa (eye worm)	hypothetical protein	0.0078	0.193	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Leishmania major	hypothetical protein, conserved	0.0114	0.3155	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0022	0	0.5
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0037	0.0515	0.2667
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0022	0	0.5
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0037	0.0515	0.2667
Brugia malayi	Nuclear hormone receptor-like 1	0.0078	0.193	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0078	0.193	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0037	0.0515	0.0515
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0078	0.193	1
Brugia malayi	steroid hormone receptor	0.0078	0.193	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0022	0	0.5
Schistosoma mansoni	nuclear receptor	0.0037	0.0515	0.2667
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0078	0.193	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0037	0.0515	0.0515
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0037	0.0515	0.0515
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0078	0.193	0.193
Echinococcus granulosus	FTZ F1 alpha	0.0078	0.193	0.193
Schistosoma mansoni	thyroid hormone receptor	0.0078	0.193	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0078	0.193	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0037	0.0515	0.2667
Echinococcus multilocularis	FTZ F1 alpha	0.0078	0.193	0.193
Brugia malayi	nuclear hormone receptor	0.0037	0.0515	0.2667
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.3011	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0078	0.193	1
Brugia malayi	ecdysteroid receptor	0.0078	0.193	1
Brugia malayi	hypothetical protein	0.0037	0.0515	0.2667
Brugia malayi	tailless protein	0.0037	0.0515	0.2667
Schistosoma mansoni	retinoic acid receptor RXR	0.0078	0.193	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Schistosoma mansoni	zinc finger protein	0.0037	0.0515	0.2667
Echinococcus multilocularis	nuclear receptor nhr 48	0.0037	0.0515	0.0515
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0078	0.193	0.193
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0078	0.193	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0037	0.0515	0.2667
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0022	0	0.5
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0078	0.193	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0037	0.0515	0.2667
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0078	0.193	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0037	0.0515	0.0515
Loa Loa (eye worm)	steroid hormone receptor	0.0078	0.193	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Onchocerca volvulus	Bile acid receptor homolog	0.0078	0.193	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0041	0.0666	0.3452
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0515	0.2667
Brugia malayi	ecdysone receptor	0.0037	0.0515	0.2667
Schistosoma mansoni	coup transcription factor	0.0078	0.193	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Onchocerca volvulus		0.0078	0.193	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0041	0.0666	0.3452
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0078	0.193	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0078	0.193	0.193
Brugia malayi	nuclear receptor RXR	0.0041	0.0666	0.3452
Schistosoma mansoni	nuclear hormone receptor	0.0037	0.0515	0.2667
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0515	0.2667
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0022	0	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0041	0.0666	0.3452
Brugia malayi	Nuclear hormone receptor E75	0.0037	0.0515	0.2667
Loa Loa (eye worm)	hypothetical protein	0.0078	0.193	1
Brugia malayi	Steroid receptor seven-up type 2	0.0078	0.193	1
Brugia malayi	conserved hypotetical protein	0.0037	0.0515	0.2667
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0515	0.2667
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0078	0.193	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0041	0.0666	0.0666
Schistosoma mansoni	nuclear receptor	0.0037	0.0515	0.2667
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0037	0.0515	0.2667
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0078	0.193	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0078	0.193	0.193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Brugia malayi	nuclear receptor RXR	0.0037	0.0515	0.2667
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0515	0.2667
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0078	0.193	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0515	0.2667
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0078	0.193	0.193
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0037	0.0515	0.2667
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0078	0.193	1
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0313	1	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0037	0.0515	0.0515
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0037	0.0515	0.2667
Brugia malayi	nuclear receptor NHR-88	0.0037	0.0515	0.2667
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0078	0.193	0.193
Brugia malayi	hypothetical protein	0.0037	0.0515	0.2667
Brugia malayi	hypothetical protein	0.0041	0.0666	0.3452
Echinococcus granulosus	ecdysone induced protein 78C	0.0078	0.193	0.193
Onchocerca volvulus	Protein ultraspiracle homolog	0.0078	0.193	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0078	0.193	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0078	0.193	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0666	0.3452
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0078	0.193	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0666	0.3452
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0078	0.193	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0078	0.193	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0078	0.193	1
Brugia malayi	nuclear receptor NHR-88	0.0078	0.193	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0515	0.2667
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Giardia lamblia	GTOR	0.0022	0	0.5
Brugia malayi	nuclear hormone receptor	0.0078	0.193	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0037	0.0515	0.0515

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 8.18 uM	Inhibitory activity against DNA-dependent protein kinase receptor	ChEMBL.	16302822
IC50 (binding)	= 8.18 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: 11494112

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 347032