TDR Targets

Basic information

Technical information

TDR Targets ID: 347267
Name: 7-[(4-bromophenyl)methoxy]-2-morpholin-4-ylch romen-4-one
MW: 416.265 | Formula: C20H18BrNO4
H donors: 0 H acceptors: 1 LogP: 3.66 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)COc1ccc2c(c1)oc(cc2=O)N1CCOCC1
InChi: 1S/C20H18BrNO4/c21-15-3-1-14(2-4-15)13-25-16-5-6-17-18(23)12-20(26-19(17)11-16)22-7-9-24-10-8-22/h1-6,11-12H,7-10,13H2
InChiKey: VJEXJBQVQBXOIO-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-[(4-bromophenyl)methoxy]-2-morpholino-chromen-4-one
7-[(4-bromophenyl)methoxy]-2-morpholino-1-benzopyran-4-one
7-[(4-bromophenyl)methoxy]-2-morpholin-4-yl-chromen-4-one
7-(4-bromobenzyl)oxy-2-morpholino-chromone
7-[(4-bromophenyl)methoxy]-2-morpholino-4-chromenone

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
Toxoplasma gondii	kinase, pfkB family protein	0.0043	0.0808	0.0808
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.2618	0.2451
Trypanosoma cruzi	adenosine kinase, putative	0.0043	0.0808	0.0599
Schistosoma mansoni	adenosine kinase	0.038	1	1
Mycobacterium leprae	Probable adenosine kinase adk	0.0043	0.0808	0.5
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0022	0.0221	0.0221
Schistosoma mansoni	ribokinase	0.0043	0.0808	0.0599
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0.0221	0.0221
Echinococcus granulosus	pseudouridine metabolizing bifunctional protein	0.0043	0.0808	0.0599
Loa Loa (eye worm)	hypothetical protein	0.038	1	1
Entamoeba histolytica	fructokinase, putative	0.0043	0.0808	1
Echinococcus granulosus	adenosine kinase	0.038	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0808	1
Brugia malayi	Ribokinase	0.0043	0.0808	0.0599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trypanosoma brucei	adenosine kinase, putative	0.038	1	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0022	0.0221	0.0221
Trypanosoma brucei	ribokinase, putative	0.0043	0.0808	0.0808
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Leishmania major	hypothetical protein, conserved	0.0114	0.2732	0.2568
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trichomonas vaginalis	ribokinase, putative	0.0043	0.0808	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trichomonas vaginalis	ribokinase, putative	0.0043	0.0808	1
Entamoeba histolytica	kinase, PfkB family	0.0043	0.0808	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0022	0.0221	0.0221
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Mycobacterium ulcerans	fructokinase, PfkB	0.0043	0.0808	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trypanosoma cruzi	adenosine kinase, putative	0.0043	0.0808	0.0599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0313	0.8181	0.814
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trypanosoma cruzi	adenosine kinase, putative	0.038	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Toxoplasma gondii	kinase, pfkB family protein	0.038	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Leishmania major	adenosine kinase-like protein	0.0043	0.0808	0.0599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trichomonas vaginalis	ribokinase, putative	0.0043	0.0808	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trypanosoma cruzi	ribokinase, putative	0.0043	0.0808	0.0599
Echinococcus granulosus	ribokinase	0.0043	0.0808	0.0599
Mycobacterium tuberculosis	6-phosphofructokinase PfkB (phosphohexokinase) (phosphofructokinase)	0.0043	0.0808	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0808	0.0808
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0313	0.8181	0.814
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0022	0.0221	0.0221
Mycobacterium tuberculosis	Adenosine kinase	0.0043	0.0808	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Echinococcus multilocularis	pseudouridine metabolizing bifunctional protein	0.0043	0.0808	0.0599
Leishmania major	tagatose-6-phosphate kinase-like protein	0.0043	0.0808	0.0599
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0022	0.0221	0.0221
Trypanosoma brucei	ribokinase, putative	0.0043	0.0808	0.0808
Onchocerca volvulus		0.0337	0.8818	1
Leishmania major	adenosine kinase, putative	0.038	1	1
Trypanosoma cruzi	adenosine kinase, putative	0.038	1	1
Leishmania major	putative PfkB family sugar kinase	0.0043	0.0808	0.0599
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0221	0.0221
Echinococcus multilocularis	ribokinase	0.0043	0.0808	0.0599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Entamoeba histolytica	tagatose-6-phosphate kinase, putative	0.0043	0.0808	1
Leishmania major	tagatose-6-phosphate kinase-like protein	0.0043	0.0808	0.0599
Echinococcus multilocularis	adenosine kinase	0.038	1	1
Leishmania major	ribokinase, putative	0.0043	0.0808	0.0599
Entamoeba histolytica	ribokinase, putative	0.0043	0.0808	1
Brugia malayi	hypothetical protein	0.0043	0.0808	0.0599
Mycobacterium tuberculosis	Ribokinase RbsK	0.0043	0.0808	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Entamoeba histolytica	Hypothetical protein T24C12.3, putative	0.0043	0.0808	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Mycobacterium ulcerans	carbohydrate kinase CbhK	0.0043	0.0808	0.5
Schistosoma mansoni	adenosine kinase	0.038	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0808	0.0808
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0221	0.2742
Leishmania major	adenosine kinase-like protein	0.0043	0.0808	0.0599
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0221	0.0221
Trypanosoma brucei	adenosine kinase, putative	0.038	1	1
Giardia lamblia	Ribokinase	0.0043	0.0808	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.56 uM	Inhibitory activity against DNA-dependent protein kinase receptor	ChEMBL.	16302822
IC50 (binding)	= 0.56 uM	Inhibitory activity against DNA-dependent protein kinase receptor	ChEMBL.	16302822
IC50 (binding)	= 2.02 uM	Inhibitory activity against DNA-dependent protein kinase receptor	ChEMBL.	16302822
IC50 (binding)	= 2.02 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: 11517255

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 347267