TDR Targets

Basic information

Technical information

TDR Targets ID: 345593
Name: N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)phen yl]acetamide
MW: 364.395 | Formula: C21H20N2O4
H donors: 1 H acceptors: 2 LogP: 2.31 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1ccc(cc1)c1cccc2c1oc(cc2=O)N1CCOCC1
InChi: 1S/C21H20N2O4/c1-14(24)22-16-7-5-15(6-8-16)17-3-2-4-18-19(25)13-20(27-21(17)18)23-9-11-26-12-10-23/h2-8,13H,9-12H2,1H3,(H,22,24)
InChiKey: BOYXDPQRSRPWEE-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

N-[4-(2-morpholino-4-oxo-chromen-8-yl)phenyl]acetamide
N-[4-(2-morpholino-4-oxo-1-benzopyran-8-yl)phenyl]acetamide
N-[4-(2-morpholin-4-yl-4-oxo-chromen-8-yl)phenyl]ethanamide
N-[4-(4-keto-2-morpholino-chromen-8-yl)phenyl]acetamide
N-[4-(2-morpholino-4-oxo-8-chromenyl)phenyl]acetamide

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
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0062	0.1082	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0075	0.1528	0.2661
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0055	0.0817	0.1717
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.1082	0.2736
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0096	0.2259	0.7267
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0213	0.6307	0.6165
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0044	0.0445	0.1279
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0065	0.1172	0.3082
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.032	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0727	0.1371
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0055	0.0817	0.1717
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0048	0.0588	0.0832
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.1082	0.2736
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.1082	0.2736
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0044	0.0445	0.0285
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0075	0.1528	0.429
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0727	0.1371
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0213	0.6307	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0042	0.0372	0.1023
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.1082	0.2736
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0117	0.2968	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0726	0.1365
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0038	0.023	0.1503
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0075	0.1528	0.4452
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0065	0.1172	0.3082
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0042	0.0372	0.2432
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0106	0.2598	0.8533
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0075	0.1528	0.429
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0044	0.0445	0.0285
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0042	0.0372	0.2432
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0078	0.1633	0.4857
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0255	0.0329
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0065	0.1172	0.3082
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0075	0.1528	0.4452
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0117	0.2968	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1633	0.2853
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0065	0.1172	0.3082
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0083	0.1781	0.5428
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0075	0.1528	0.4258
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0727	0.1371
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.006	0.1007	0.6441
Loa Loa (eye worm)	phosphatidylinositol 3	0.0042	0.0372	0.0542
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0044	0.0445	0.0125
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0065	0.1173	0.768
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0078	0.1633	0.131
Trypanosoma cruzi	target of rapamycin kinase 3	0.0065	0.1173	0.3795
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0117	0.2968	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0117	0.2968	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.1082	0.2736
Leishmania major	hypothetical protein, conserved	0.012	0.3086	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0117	0.2968	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0726	0.1365
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.0498	0.0486
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0095	0.2194	0.6931
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0044	0.0445	0.0285
Entamoeba histolytica	hypothetical protein	0.0095	0.2194	0.6931
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.0944	0.2203
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0042	0.0372	0.1023
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0078	0.1633	0.131
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0065	0.1172	0.3082
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0075	0.1528	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0075	0.1528	0.4258
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0445	0.0285
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0075	0.1528	0.4452
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.0498	0.0486
Loa Loa (eye worm)	phosphatidylinositol 3	0.0191	0.5533	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0075	0.1528	0.4452
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0075	0.1528	0.1201
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0674	0.1165
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0075	0.1528	0.502
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.1082	0.2736
Giardia lamblia	GTOR	0.0075	0.1528	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0056	0.0858	0.1637
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.2717	0.913
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0065	0.1173	0.2953
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0075	0.1528	0.1948
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0075	0.1528	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0075	0.1528	0.502
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0727	0.1371
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0075	0.1528	0.1201
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0213	0.6307	0.6165
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0726	0.1365
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0083	0.1781	0.5428
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0117	0.2968	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0044	0.0445	0.2916
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.1082	0.2736
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.0498	0.0486
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0117	0.2968	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.2 uM	Inhibitory activity against DNA-dependent protein kinase receptor	ChEMBL.	16302822
IC50 (binding)	= 1.2 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: 11689114

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 345593