TDR Targets

Basic information

Technical information

TDR Targets ID: 416908
Name: benzyl N-[4-(6-morpholin-4-yl-4-oxopyran-2-yl )phenyl]carbamate
MW: 406.431 | Formula: C23H22N2O5
H donors: 1 H acceptors: 2 LogP: 2.8 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)c1oc(cc(=O)c1)N1CCOCC1)OCc1ccccc1
InChi: 1S/C23H22N2O5/c26-20-14-21(30-22(15-20)25-10-12-28-13-11-25)18-6-8-19(9-7-18)24-23(27)29-16-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H,24,27)
InChiKey: UYFSNCXAHVBFRI-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

benzyl N-[4-(6-morpholino-4-oxo-pyran-2-yl)phenyl]carbamate
N-[4-(6-morpholino-4-oxo-2-pyranyl)phenyl]carbamic acid benzyl ester
phenylmethyl N-[4-(6-morpholin-4-yl-4-oxo-pyran-2-yl)phenyl]carbamate
N-[4-(4-keto-6-morpholino-pyran-2-yl)phenyl]carbamic acid benzyl ester
phenylmethyl N-[4-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate
phenylmethyl N-[4-(6-morpholino-4-oxo-pyran-2-yl)phenyl]carbamate
N-[4-(6-morpholino-4-oxo-2-pyranyl)phenyl]carbamic acid phenylmethyl ester

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	0.0208	0.3637
Schistosoma mansoni	ran	0.0021	0.0182	0.0187
Schistosoma mansoni	importin beta-1	0.0029	0.0435	0.0447
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0305	0.9731	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0022	0.0208	0.0532
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0435	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0022	0.0208	0.0088
Brugia malayi	Importin beta-1 subunit	0.0029	0.0435	0.1972
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0435	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0673	0.0673
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0022	0.0208	0.0084
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0022	0.0208	0.0208
Entamoeba histolytica	hypothetical protein	0.0036	0.0673	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.0208	0.0941
Brugia malayi	hypothetical protein	0.0036	0.0673	0.3051
Trypanosoma cruzi	target of rapamycin kinase 3	0.0022	0.0208	0.0088
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Leishmania major	hypothetical protein, conserved	0.0114	0.3297	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1136	0.1167
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0022	0.0208	0.1032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1136	0.1167
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0673	0.0692
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.061	0.2764
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.3156	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0022	0.0208	0.0208
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0022	0.0208	0.0084
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0022	0.0208	0.0088
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0022	0.0208	0.0208
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1136	0.5146
Entamoeba histolytica	hypothetical protein	0.0036	0.0673	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0022	0.0208	0.0084
Echinococcus multilocularis	snurportin 1	0.0305	0.9731	0.9731
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0435	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0022	0.0208	0.0084
Entamoeba histolytica	hypothetical protein	0.0023	0.0254	0.1464
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0435	1
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0254	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Schistosoma mansoni	hypothetical protein	0.0036	0.0673	0.0692
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0208	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0435	0.0447
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0254	0.0242
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0182	0.0823
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0022	0.0208	0.0532
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0022	0.0208	0.1032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1136	0.5146
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0022	0.0208	0.0084
Schistosoma mansoni	hypothetical protein	0.0305	0.9731	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0208	0.0213
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0435	0.0435
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0182	0.0182
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0022	0.0208	0.0208
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0313	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0022	0.0208	0.0213
Echinococcus granulosus	snurportin 1	0.0305	0.9731	0.9731
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0673	0.0673
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0254	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0.0208	0.1032
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0022	0.0208	0.1032
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0022	0.0208	0.1032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0022	0.0208	0.0213
Schistosoma mansoni	ran	0.0021	0.0182	0.0187
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0022	0.0208	0.1032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0254	1
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0182	0.0182
Entamoeba histolytica	hypothetical protein	0.0036	0.0673	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Loa Loa (eye worm)	hypothetical protein	0.0034	0.061	0.0627
Brugia malayi	RNA, U transporter 1	0.0081	0.2207	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0254	0.0231
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Giardia lamblia	GTOR	0.0022	0.0208	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Schistosoma mansoni	hypothetical protein	0.0034	0.061	0.0627
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.0208	0.0941
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0022	0.0208	0.0088
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0182	0.0187
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0435	0.0435
Entamoeba histolytica	hypothetical protein	0.0036	0.0673	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0022	0.0208	0.0088
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637
Plasmodium falciparum	importin beta, putative	0.0029	0.0435	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0208	0.3637

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.8 uM	Inhibition of DNA-PK in HeLa cell nuclear extracts	ChEMBL.	17371003
IC50 (binding)	= 1.8 uM	Inhibition of DNA-PK in HeLa cell nuclear extracts	ChEMBL.	17371003
IC50 (binding)	> 100 uM	Inhibition of ATM kinase	ChEMBL.	17371003
IC50 (binding)	> 100 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: CHEMBL222179
PubChem: 16203358

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 416908