TDR Targets

Basic information

Technical information

TDR Targets ID: 345939
Name: 7-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylc hromen-4-one
MW: 371.814 | Formula: C20H18ClNO4
H donors: 0 H acceptors: 1 LogP: 3.6 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)COc1ccc2c(c1)oc(cc2=O)N1CCOCC1
InChi: 1S/C20H18ClNO4/c21-15-3-1-2-14(10-15)13-25-16-4-5-17-18(23)12-20(26-19(17)11-16)22-6-8-24-9-7-22/h1-5,10-12H,6-9,13H2
InChiKey: XFHTXJXSCBKZLS-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

7-[(3-chlorophenyl)methoxy]-2-morpholino-chromen-4-one
7-[(3-chlorophenyl)methoxy]-2-morpholino-1-benzopyran-4-one
7-[(3-chlorophenyl)methoxy]-2-morpholin-4-yl-chromen-4-one
7-(3-chlorobenzyl)oxy-2-morpholino-chromone

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.1103	0.2712
Leishmania major	hypothetical protein, conserved	0.0121	0.3067	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0733	0.1353
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0043	0.0363	0.0927
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0734	0.1359
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0221	0.6571	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0077	0.1568	0.4199
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0046	0.0464	0.0369
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.1103	0.2712
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.1103	0.2712
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0056	0.0828	0.1702
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.0601	0.0872
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.032	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0734	0.1359
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0067	0.1197	0.3055
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0221	0.6571	0.6441
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0046	0.0464	0.1263
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.01	0.2359	0.7312
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.1103	0.2712
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0064	0.1103	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0056	0.0828	0.1702
Loa Loa (eye worm)	phosphatidylinositol 3	0.0077	0.1568	0.2612
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0067	0.1198	0.7644
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0046	0.0464	0.0162
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0062	0.1049	0.6544
Loa Loa (eye worm)	phosphatidylinositol 3	0.0043	0.0363	0.0491
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0734	0.1359
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0077	0.1568	0.4454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0067	0.1197	0.3055
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1701	0.2846
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0086	0.1855	0.5468
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0067	0.1197	0.3055
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0077	0.1568	0.4414
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0121	0.3092	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0272	0.033
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0081	0.1701	0.4901
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0043	0.0363	0.2317
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0046	0.0464	0.0369
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.011	0.2712	0.8555
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0077	0.1568	0.4199
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0043	0.0363	0.2317
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.1568	0.4414
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0039	0.0226	0.1444
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0067	0.1197	0.3055
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0077	0.1568	0.125
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.1568	0.4414
Loa Loa (eye worm)	phosphatidylinositol 3	0.0198	0.5764	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0046	0.0464	0.0369
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.1568	0.4414
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0508	0.0529
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0077	0.1568	0.4454
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0077	0.1568	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0043	0.0363	0.0927
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0081	0.1701	0.1388
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0067	0.1197	0.3055
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0098	0.2286	0.6931
Trichomonas vaginalis	PIKK family atypical protein kinase	0.006	0.0972	0.2231
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0046	0.0464	0.0369
Entamoeba histolytica	hypothetical protein	0.0098	0.2286	0.6931
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0508	0.0529
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0121	0.3092	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0121	0.3092	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0733	0.1353
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.1103	0.2712
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0121	0.3092	1
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0121	0.3092	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.0067	0.1198	0.3704
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0081	0.1701	0.1388
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0508	0.0529
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0121	0.3092	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.1103	0.2712
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0046	0.0464	0.296
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0086	0.1855	0.5468
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0121	0.3092	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0733	0.1353
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0221	0.6571	0.6441
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0077	0.1568	0.125
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0077	0.1568	0.4932
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0077	0.1568	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0734	0.1359
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0077	0.1568	0.194
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0067	0.1198	0.3089
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0058	0.0894	0.1637
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.2688	0.8655
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.1103	0.2712
Giardia lamblia	GTOR	0.0077	0.1568	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0077	0.1568	0.4932
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0689	0.1195

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.49 uM	Inhibitory activity against DNA-dependent protein kinase receptor	ChEMBL.	16302822
IC50 (binding)	= 0.49 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: 11595862

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 345939