TDR Targets

Basic information

Technical information

TDR Targets ID: 418434
Name: 2-(4-methylnaphthalen-1-yl)-6-morpholin-4-ylp yran-4-one
MW: 321.37 | Formula: C20H19NO3
H donors: 0 H acceptors: 1 LogP: 3.34 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=c1cc(oc(c1)c1ccc(c2c1cccc2)C)N1CCOCC1
InChi: 1S/C20H19NO3/c1-14-6-7-18(17-5-3-2-4-16(14)17)19-12-15(22)13-20(24-19)21-8-10-23-11-9-21/h2-7,12-13H,8-11H2,1H3
InChiKey: NTNWMKZFNSPZSP-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-(4-methyl-1-naphthyl)-6-morpholino-pyran-4-one
2-(4-methyl-1-naphthyl)-6-morpholino-4-pyranone
2-(4-methylnaphthalen-1-yl)-6-morpholin-4-yl-pyran-4-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	protein kinase, DNA-activated, catalytic polypeptide	Starlite/ChEMBL	References
Homo sapiens	ATM serine/threonine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	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
Leishmania braziliensis	phosphatidylinositol kinase related protein, putative	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
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	hypothetical protein	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
Candida albicans	identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase	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
Echinococcus multilocularis	serine protein kinase ATM	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	hypothetical protein	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
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family 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
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	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
Candida albicans	similar to putative phosphatidylinositol kinase involved in telomere length regulation	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
Trypanosoma brucei gambiense	phosphatidylinositol kinase domain protein, putative	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
Schistosoma japonicum	IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing	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
Schistosoma japonicum	ko:K04728 ataxia telangectasia mutated family protein, putative	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 mexicana	phosphatidylinositol 3-kinase-like protein	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania donovani	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

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
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0706	1	1
Echinococcus granulosus	tissue type plasminogen activator	0.0292	0.3049	0.8581
Loa Loa (eye worm)	hypothetical protein	0.03	0.3194	0.291
Schistosoma mansoni	hypothetical protein	0.0152	0.0714	0.0327
Echinococcus multilocularis	tissue type plasminogen activator	0.0292	0.3049	0.8581
Brugia malayi	Trypsin family protein	0.0152	0.0714	0.0327
Schistosoma mansoni	cercarial elastase (S01 family)	0.0152	0.0714	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0714	0.0327
Loa Loa (eye worm)	hypothetical protein	0.03	0.3194	0.291
Echinococcus granulosus	transmembrane protease serine 3	0.0152	0.0714	0.1018
Trypanosoma cruzi	hypothetical protein, conserved	0.0292	0.3049	1
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0714	0.0327
Echinococcus granulosus	glycoprotein Antigen 5	0.0194	0.1416	0.3293
Onchocerca volvulus		0.0706	1	1
Plasmodium falciparum	cysteine repeat modular protein 1	0.0292	0.3049	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0152	0.0714	0.0327
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0152	0.0714	0.0327
Echinococcus granulosus	Tolloid protein 1	0.03	0.3194	0.9051
Toxoplasma gondii	calcium binding egf domain-containing protein	0.03	0.3194	0.8039
Echinococcus multilocularis	glycoprotein Antigen 5	0.0194	0.1416	0.3293
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0318	0.3487	1
Echinococcus multilocularis	laminin	0.03	0.3194	0.9051
Schistosoma mansoni	cercarial elastase (S01 family)	0.0152	0.0714	0.0327
Echinococcus multilocularis	transmembrane protease serine 3	0.0152	0.0714	0.1018
Toxoplasma gondii	PAN domain-containing protein	0.0341	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.0706	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0706	1	1
Loa Loa (eye worm)	trypsin family protein	0.0152	0.0714	0.0327
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0152	0.0714	0.1018
Schistosoma mansoni	hypothetical protein	0.0152	0.0714	0.0327
Echinococcus multilocularis	Mastin	0.0194	0.1416	0.3293
Loa Loa (eye worm)	hypothetical protein	0.0292	0.3049	0.2759
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0714	0.0327
Schistosoma mansoni	septate junction protein	0.0144	0.0583	0.0191
Onchocerca volvulus		0.0152	0.0714	0.0327
Echinococcus granulosus	enteropeptidase	0.0194	0.1416	0.3293
Echinococcus multilocularis	Tolloid protein 1	0.03	0.3194	0.9051
Brugia malayi	Fibulin-1 precursor	0.03	0.3194	0.291
Toxoplasma gondii	PAN domain-containing protein	0.0341	0.3875	1
Echinococcus multilocularis	fibrillin 1	0.03	0.3194	0.9051
Schistosoma mansoni	cercarial elastase (S01 family)	0.0152	0.0714	0.0327
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0152	0.0714	0.0327
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0318	0.3487	1
Loa Loa (eye worm)	hypothetical protein	0.03	0.3194	0.291
Schistosoma mansoni	cercarial elastase (S01 family)	0.0152	0.0714	0.0327
Echinococcus granulosus	Mastin	0.0194	0.1416	0.3293
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0152	0.0714	0.0327
Brugia malayi	hypothetical protein	0.0152	0.0714	0.0327
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.03	0.3194	0.291
Onchocerca volvulus		0.0292	0.3049	0.2759
Brugia malayi	Kringle domain containing protein	0.0292	0.3049	0.2759
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0152	0.0714	0.1018
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0152	0.0714	0.0327
Onchocerca volvulus		0.0152	0.0714	0.0327
Echinococcus granulosus	laminin	0.03	0.3194	0.9051
Toxoplasma gondii	kringle domain-containing protein	0.0292	0.3049	0.7622
Schistosoma mansoni	egf-like domain protein	0.03	0.3194	0.291
Schistosoma mansoni	cercarial elastase (S01 family)	0.0152	0.0714	0.0327
Onchocerca volvulus	Arrow homolog	0.03	0.3194	0.291
Mycobacterium ulcerans	hypothetical protein	0.0152	0.0714	0.5
Loa Loa (eye worm)	hypothetical protein	0.0706	1	1
Brugia malayi	Protein kinase domain containing protein	0.0292	0.3049	0.2759
Schistosoma mansoni	cercarial elastase (S01 family)	0.0152	0.0714	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0311	0.3377	0.3101
Echinococcus multilocularis	enteropeptidase	0.0194	0.1416	0.3293
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.03	0.3194	0.291
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0194	0.1416	0.1059
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.03	0.3194	0.291
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0152	0.0714	0.0327
Onchocerca volvulus		0.0152	0.0714	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0714	0.0327
Onchocerca volvulus		0.0152	0.0714	0.0327
Leishmania major	hypothetical protein, conserved	0.0292	0.3049	1
Giardia lamblia	High cysteine protein	0.0134	0.04	0.5
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.03	0.3194	0.291
Schistosoma mansoni	cercarial elastase (S01 family)	0.0152	0.0714	0.0327
Schistosoma mansoni	cercarial elastase (S01 family)	0.0152	0.0714	0.0327
Onchocerca volvulus		0.0554	0.7448	0.7342
Loa Loa (eye worm)	TK/ROR protein kinase	0.0292	0.3049	0.2759
Onchocerca volvulus		0.0152	0.0714	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0714	0.0327
Schistosoma mansoni	cercarial elastase (S01 family)	0.0152	0.0714	0.0327
Brugia malayi	Trypsin family protein	0.0152	0.0714	0.0327
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.03	0.3194	0.291
Loa Loa (eye worm)	hypothetical protein	0.03	0.3194	0.291
Toxoplasma gondii	calcium binding egf domain-containing protein	0.03	0.3194	0.8039
Schistosoma mansoni	hypothetical protein	0.0292	0.3049	0.2759
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0152	0.0714	0.0327
Schistosoma mansoni	cercarial elastase (S01 family)	0.0152	0.0714	0.0327
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0152	0.0714	0.1018
Brugia malayi	Trypsin family protein	0.0152	0.0714	0.0327
Brugia malayi	Trypsin-like protease protein 5	0.0152	0.0714	0.0327
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0292	0.3049	0.5
Brugia malayi	Calcium binding EGF domain containing protein	0.03	0.3194	0.291
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0152	0.0714	0.1018

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.3 uM	Inhibition of DNA-PK in HeLa cell nuclear extracts	ChEMBL.	17371003
IC50 (binding)	= 1.3 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: CHEMBL389267
PubChem: 16203254

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 418434