TDR Targets

Basic information

Technical information

TDR Targets ID: 172740
Name: 2-(4-chlorophenyl)-6-morpholin-4-ylpyran-4-on e
MW: 291.73 | Formula: C15H14ClNO3
H donors: 0 H acceptors: 1 LogP: 2.35 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=c1cc(oc(c1)c1ccc(cc1)Cl)N1CCOCC1
InChi: 1S/C15H14ClNO3/c16-12-3-1-11(2-4-12)14-9-13(18)10-15(20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2
InChiKey: VYDDKZSYMMZLQU-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

2-(4-chlorophenyl)-6-morpholino-pyran-4-one
2-(4-chlorophenyl)-6-morpholino-4-pyranone
2-(4-chlorophenyl)-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

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
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0022	0.0271	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Onchocerca volvulus		0.0015	0.0055	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
Onchocerca volvulus		0.0015	0.0055	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0022	0.0271	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0015	0.0055	0.2034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0015	0.0055	0.2034
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0022	0.0271	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
Onchocerca volvulus		0.0015	0.0055	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Onchocerca volvulus		0.0015	0.0055	0.5
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0.0271	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.0271	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0015	0.0055	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0022	0.0271	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Onchocerca volvulus		0.0015	0.0055	0.5
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0022	0.0271	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.0271	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0022	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0022	0.0271	0.0217
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0022	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Onchocerca volvulus		0.0015	0.0055	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Onchocerca volvulus		0.0015	0.0055	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Onchocerca volvulus		0.0015	0.0055	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0271	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Loa Loa (eye worm)	TYRA-2 protein	0.0015	0.0055	0.2034
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.32	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Onchocerca volvulus		0.0015	0.0055	0.5
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0313	1	1
Onchocerca volvulus		0.0015	0.0055	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Giardia lamblia	GTOR	0.0022	0.0271	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Onchocerca volvulus		0.0015	0.0055	0.5
Leishmania major	hypothetical protein, conserved	0.0114	0.334	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
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0022	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0015	0.0055	0.2034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Onchocerca volvulus		0.0015	0.0055	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Onchocerca volvulus		0.0015	0.0055	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	neuropeptide F receptor	0.0015	0.0055	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0015	0.0055	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Onchocerca volvulus		0.0015	0.0055	0.5
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0015	0.0055	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0015	0.0055	0.2034
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0022	0.0271	1
Onchocerca volvulus		0.0015	0.0055	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0022	0.0271	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0015	0.0055	0.2034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Onchocerca volvulus		0.0015	0.0055	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0015	0.0055	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Onchocerca volvulus		0.0015	0.0055	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0015	0.0055	0.2034
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0022	0.0271	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
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
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0022	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.2034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0271	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.0015	0.0055	0.2034

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.18 uM	In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.	ChEMBL.	12941339
IC50 (binding)	= 0.18 uM	Inhibition of DNA-PK in HeLa cell nuclear extracts	ChEMBL.	17371003
IC50 (binding)	= 0.18 uM	In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.	ChEMBL.	12941339
IC50 (binding)	= 0.18 uM	Inhibition of DNA-PK in HeLa cell nuclear extracts	ChEMBL.	17371003
IC50 (binding)	= 0.18 uM	Inhibition of DNA-PK (unknown origin)	ChEMBL.	25387153

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: CHEMBL105612
PubChem: 10062895

Bibliographic References

3 literature references were 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 172740