TDR Targets

Basic information

Technical information

TDR Targets ID: 312622
Name: 8-methoxy-4-morpholin-4-ylchromen-2-one
MW: 261.273 | Formula: C14H15NO4
H donors: 0 H acceptors: 1 LogP: 1.35 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc2c1oc(=O)cc2N1CCOCC1
InChi: 1S/C14H15NO4/c1-17-12-4-2-3-10-11(9-13(16)19-14(10)12)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3
InChiKey: QMOLGKOGXTXVPG-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

8-methoxy-4-morpholino-chromen-2-one
8-methoxy-4-morpholino-1-benzopyran-2-one
8-methoxy-4-morpholin-4-yl-chromen-2-one
8-methoxy-4-morpholino-coumarin
8-methoxy-4-morpholino-2-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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0022	0.0271	0.0645
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0015	0.0059	0.5
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0015	0.0059	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.0271	1
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0015	0.0059	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0015	0.0059	0.5
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0015	0.0059	0.5
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0022	0.0271	0.0213
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0015	0.0059	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0015	0.0059	0.5
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0015	0.0059	0.2182
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0022	0.0271	0.0213
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0022	0.0271	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Loa Loa (eye worm)	cytochrome P450	0.0015	0.0059	0.2182
Giardia lamblia	GTOR	0.0022	0.0271	0.5
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0015	0.0059	0.5
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0015	0.0059	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0022	0.0271	0.0674
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0015	0.0059	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0015	0.0059	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.32	1
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0015	0.0059	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0015	0.0059	0.5
Mycobacterium leprae	Conserved hypothetical protein	0.0015	0.0059	0.5
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0022	0.0271	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.0059	0.2182
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0015	0.0059	0.5
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0022	0.0271	0.0213
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0022	0.0271	0.0674
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0015	0.0059	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0271	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0022	0.0271	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0015	0.0059	0.5
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0015	0.0059	0.5
Mycobacterium leprae	putative cytochrome p450	0.0015	0.0059	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0015	0.0059	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0022	0.0271	0.0645
Trypanosoma brucei	cytochrome P450, putative	0.0015	0.0059	0.2182
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0022	0.0271	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0022	0.0271	0.0674
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0015	0.0059	0.5
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0022	0.0271	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0015	0.0059	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0015	0.0059	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0015	0.0059	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0271	1
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0015	0.0059	0.5
Leishmania major	hypothetical protein, conserved	0.0114	0.334	1
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0015	0.0059	0.5
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0022	0.0271	0.5
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0022	0.0271	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0022	0.0271	0.0674
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0022	0.0271	1
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0015	0.0059	0.5
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0015	0.0059	0.5
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0015	0.0059	0.2182
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0015	0.0059	0.5
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0313	1	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0.0271	1
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0015	0.0059	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0015	0.0059	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0022	0.0271	0.0645
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0022	0.0271	0.0213
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0022	0.0271	0.0645
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0015	0.0059	0.5
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0015	0.0059	0.5
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0022	0.0271	0.0645
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0015	0.0059	0.5
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0015	0.0059	0.5
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0015	0.0059	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.0271	1
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0015	0.0059	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Loa Loa (eye worm)	CYP4Cod1	0.0015	0.0059	0.2182
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0022	0.0271	0.5
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0015	0.0059	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0015	0.0059	0.5
Trypanosoma cruzi	target of rapamycin kinase 3	0.0022	0.0271	0.0674
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0015	0.0059	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0015	0.0059	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.0059	0.2182
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.0059	0.2182
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0015	0.0059	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0015	0.0059	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 10.94 uM	Inhibition of DNA dependent protein kinase isolated from HeLa cells	ChEMBL.	15658870
IC50 (binding)	= 10.94 uM	Inhibition of DNA dependent protein kinase isolated from HeLa cells	ChEMBL.	15658870

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: 11346012

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 312622