TDR Targets

Basic information

Technical information

TDR Targets ID: 347275
Name: 2-[2-(2-morpholin-4-yl-4-oxochromen-7-yl)oxye thyl]isoindole-1,3-dione
MW: 420.415 | Formula: C23H20N2O6
H donors: 0 H acceptors: 3 LogP: 2.15 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C1N(CCOc2ccc3c(c2)oc(cc3=O)N2CCOCC2)C(=O)c2c1cccc2
InChi: 1S/C23H20N2O6/c26-19-14-21(24-7-10-29-11-8-24)31-20-13-15(5-6-18(19)20)30-12-9-25-22(27)16-3-1-2-4-17(16)23(25)28/h1-6,13-14H,7-12H2
InChiKey: QOZAKCOFAKHXPA-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-[2-(2-morpholino-4-oxo-chromen-7-yl)oxyethyl]isoindoline-1,3-dione
2-[2-[(2-morpholino-4-oxo-1-benzopyran-7-yl)oxy]ethyl]isoindoline-1,3-dione
2-[2-(2-morpholin-4-yl-4-oxo-chromen-7-yl)oxyethyl]isoindole-1,3-dione
2-[2-(4-keto-2-morpholino-chromen-7-yl)oxyethyl]isoindoline-1,3-quinone

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
Brugia malayi	Cadherin domain containing protein	0.0042	0.0668	0.0668
Echinococcus granulosus	protein jagged 1	0.0042	0.0668	0.0668
Echinococcus granulosus	neural cadherin	0.0042	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0326	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Brugia malayi	EGF-like domain containing protein	0.0042	0.0668	0.0668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0326	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0326	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Schistosoma mansoni	notch	0.0042	0.0668	0.0668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Echinococcus multilocularis	neurogenic locus notch protein	0.0042	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0326	1	1
Brugia malayi	GCC2 and GCC3 family protein	0.0042	0.0668	0.0668
Brugia malayi	EGF-like domain containing protein	0.0042	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Echinococcus granulosus	protein jagged 1	0.0042	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0326	1	1
Echinococcus multilocularis	neural cadherin	0.0042	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0	0.5
Loa Loa (eye worm)	Notch2	0.0042	0.0668	0.0668
Schistosoma mansoni	slit	0.0042	0.0668	0.0668
Brugia malayi	Calcium binding EGF domain containing protein	0.0042	0.0668	0.0668
Brugia malayi	EGF-like domain containing protein	0.0042	0.0668	0.0668
Brugia malayi	Cadherin domain containing protein	0.0042	0.0668	0.0668
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 granulosus	fibropellin Ia	0.0042	0.0668	0.0668
Schistosoma mansoni	hypothetical protein	0.0042	0.0668	0.0668
Echinococcus multilocularis	neurogenic locus notch protein	0.0042	0.0668	0.0668
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0042	0.0668	0.0668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Echinococcus granulosus	delta-like protein 1	0.0042	0.0668	0.0668
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0042	0.0668	0.0668
Brugia malayi	EGF-like domain containing protein	0.0042	0.0668	0.0668
Onchocerca volvulus	Dual oxidase homolog	0.0326	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0326	1	1
Loa Loa (eye worm)	hypothetical protein	0.0326	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Onchocerca volvulus	Peroxidasin homolog	0.0326	1	1
Brugia malayi	Peroxidasin	0.0326	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0022	0	0.5
Echinococcus multilocularis	peroxidasin	0.0326	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0326	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0326	1	1
Onchocerca volvulus	Chorion peroxidase homolog	0.0326	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0326	1	1
Brugia malayi	EGF-like domain containing protein	0.0042	0.0668	0.0668
Schistosoma mansoni	hypothetical protein	0.0042	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0326	1	1
Echinococcus multilocularis	neurogenic locus protein delta	0.0042	0.0668	0.0668
Toxoplasma gondii	EGF family domain-containing protein	0.0042	0.0668	1
Loa Loa (eye worm)	hypothetical protein	0.0326	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Onchocerca volvulus	Peroxidasin homolog	0.0326	1	1
Schistosoma mansoni	notch	0.0042	0.0668	0.0668
Brugia malayi	EGF-like domain containing protein	0.0042	0.0668	0.0668
Schistosoma mansoni	laminin gamma-3 chain	0.0042	0.0668	0.0668
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0022	0	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0326	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0326	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Brugia malayi	Delta serrate ligand family protein	0.0042	0.0668	0.0668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Onchocerca volvulus	Peroxidase homolog	0.0326	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0022	0	0.5
Echinococcus multilocularis	fibropellin Ia	0.0042	0.0668	0.0668
Schistosoma mansoni	notch	0.0042	0.0668	0.0668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0326	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Echinococcus granulosus	neurogenic locus protein delta	0.0042	0.0668	0.0668
Leishmania major	hypothetical protein, conserved	0.0114	0.3022	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0326	1	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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0326	1	1
Schistosoma mansoni	hypothetical protein	0.0042	0.0668	0.0668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Echinococcus multilocularis	protein jagged 1	0.0042	0.0668	0.0668
Echinococcus granulosus	protein jagged 2	0.0042	0.0668	0.0668
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0313	0.9578	0.9578
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0326	1	1
Echinococcus granulosus	peroxidasin	0.0326	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Echinococcus multilocularis	protein jagged 2	0.0042	0.0668	0.0668
Schistosoma mansoni	peroxidasin	0.0326	1	1
Echinococcus granulosus	protein jagged 2	0.0042	0.0668	0.0668
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0042	0.0668	0.0668
Schistosoma mansoni	hypothetical protein	0.0042	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Schistosoma mansoni	hypothetical protein	0.0042	0.0668	0.0668
Echinococcus multilocularis	protein jagged 1	0.0042	0.0668	0.0668
Onchocerca volvulus		0.0326	1	1
Loa Loa (eye worm)	hypothetical protein	0.0326	1	1
Brugia malayi	EGF-like domain containing protein	0.0042	0.0668	0.0668
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0313	0.9578	0.9578
Schistosoma mansoni	hypothetical protein	0.0042	0.0668	0.0668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Echinococcus granulosus	neurogenic locus notch protein	0.0042	0.0668	0.0668
Brugia malayi	notch-like transmembrane receptor	0.0042	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Loa Loa (eye worm)	notch protein	0.0042	0.0668	0.0668
Brugia malayi	Muscle positioning protein 4	0.0042	0.0668	0.0668
Echinococcus granulosus	neurogenic locus notch protein 4	0.0042	0.0668	0.0668
Echinococcus multilocularis	slit 2 protein	0.0042	0.0668	0.0668
Echinococcus granulosus	slit 2 protein	0.0042	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Schistosoma mansoni	peroxidasin	0.0326	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0326	1	1
Echinococcus multilocularis	neurogenic locus protein delta	0.0042	0.0668	0.0668
Brugia malayi	Calcium binding EGF domain containing protein	0.0042	0.0668	0.0668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Onchocerca volvulus	Peroxidase homolog	0.0326	1	1
Schistosoma mansoni	notch	0.0042	0.0668	0.0668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0326	1	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0022	0	0.5
Echinococcus granulosus	notch	0.0042	0.0668	0.0668
Onchocerca volvulus		0.0326	1	1
Brugia malayi	Blistered cuticle protein 3	0.0326	1	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0022	0	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0326	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0326	1	1
Echinococcus multilocularis	notch	0.0042	0.0668	0.0668
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0042	0.0668	0.0668
Brugia malayi	Calcium binding EGF domain containing protein	0.0042	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5
Schistosoma mansoni	notch	0.0042	0.0668	0.0668
Echinococcus granulosus	neurogenic locus notch protein	0.0042	0.0668	0.0668
Schistosoma mansoni	notch	0.0042	0.0668	0.0668
Loa Loa (eye worm)	animal heme peroxidase	0.0326	1	1
Onchocerca volvulus		0.0326	1	1
Schistosoma mansoni	cell polarity protein	0.0042	0.0668	0.0668
Schistosoma mansoni	hypothetical protein	0.0042	0.0668	0.0668
Giardia lamblia	High cysteine protein	0.0042	0.0668	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0668	0.0668
Schistosoma mansoni	septate junction protein	0.0042	0.0668	0.0668
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.2884	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4.33 uM	Inhibitory activity against DNA-dependent protein kinase receptor	ChEMBL.	16302822
IC50 (binding)	= 4.33 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: 11575363

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 347275