TDR Targets

Basic information

Technical information

TDR Targets ID: 327835
Name: 8-dibenzofuran-4-yl-2-morpholin-4-ylchromen-4 -one
MW: 397.423 | Formula: C25H19NO4
H donors: 0 H acceptors: 1 LogP: 4.87 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=c1cc(oc2c1cccc2c1cccc2c1oc1c2cccc1)N1CCOCC1
InChi: 1S/C25H19NO4/c27-21-15-23(26-11-13-28-14-12-26)30-25-19(8-4-9-20(21)25)18-7-3-6-17-16-5-1-2-10-22(16)29-24(17)18/h1-10,15H,11-14H2
InChiKey: LEWYWLXLBNVBFP-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

8-dibenzofuran-4-yl-2-morpholino-chromen-4-one
8-(4-dibenzofuranyl)-2-morpholino-1-benzopyran-4-one
8-dibenzofuran-4-yl-2-morpholin-4-yl-chromen-4-one
8-dibenzofuran-4-yl-2-morpholino-chromone
8-(4-dibenzofuranyl)-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
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0033	0.0486	0.0486
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0022	0.0105	0.2167
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0022	0.0105	0.0105
Brugia malayi	beta-lactamase family protein	0.0033	0.0486	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Echinococcus granulosus	beta LACTamase domain containing family member	0.0033	0.0486	0.0486
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.0105	0.2167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.3084	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0486	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0022	0.0105	0.2167
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0211	0.6531	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0022	0.0105	0.0105
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0033	0.0486	0.0744
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Mycobacterium tuberculosis	Probable lipase LipD	0.0033	0.0486	0.0744
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0313	1	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0022	0.0105	0.0327
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0105	0.2167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Mycobacterium ulcerans	hypothetical protein	0.0033	0.0486	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Trichomonas vaginalis	penicillin-binding protein, putative	0.0033	0.0486	1
Leishmania major	hypothetical protein, conserved	0.0033	0.0486	0.1507
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0486	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Mycobacterium leprae	Probable lipase LipE	0.0033	0.0486	0.5
Mycobacterium ulcerans	lipase LipD	0.0033	0.0486	1
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0486	0.0744
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0022	0.0105	0.2167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0486	0.1576
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0022	0.0105	0.0342
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0033	0.0486	0.0744
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0033	0.0486	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0033	0.0486	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0022	0.0105	1
Mycobacterium tuberculosis	Probable hydrolase	0.0033	0.0486	0.0744
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0022	0.0105	1
Onchocerca volvulus		0.0033	0.0486	0.5
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0022	0.0105	0.0327
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0.0105	0.2167
Loa Loa (eye worm)	beta-lactamase	0.0033	0.0486	1
Giardia lamblia	GTOR	0.0022	0.0105	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0022	0.0105	0.0327
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0022	0.0105	0.2167
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0022	0.0105	0.2167
Trichomonas vaginalis	esterase, putative	0.0033	0.0486	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0486	0.1576
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0022	0.0105	0.2167
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0022	0.0105	0.2167
Onchocerca volvulus		0.0033	0.0486	0.5
Onchocerca volvulus		0.0033	0.0486	0.5
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0022	0.0105	0.0327
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0105	0.2167
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0022	0.0105	0.0105
Trichomonas vaginalis	penicillin-binding protein, putative	0.0033	0.0486	1
Plasmodium vivax	hypothetical protein, conserved	0.0033	0.0486	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0486	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0033	0.0486	0.0744
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0022	0.0105	0.0342
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.0105	0.2167
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0033	0.0486	1
Brugia malayi	beta-lactamase	0.0033	0.0486	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0	0.5
Brugia malayi	beta-lactamase family protein	0.0033	0.0486	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0486	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0033	0.0486	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.0022	0.0105	0.0342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0486	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0022	0.0105	0.0105
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Toxoplasma gondii	ABC1 family protein	0.0033	0.0486	1
Mycobacterium leprae	conserved hypothetical protein	0.0033	0.0486	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0033	0.0486	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0486	1
Leishmania major	hypothetical protein, conserved	0.0114	0.3227	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0486	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0022	0.0105	0.0342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0022	0.0105	0.0342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0022	0.0105	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0486	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0033	0.0486	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0486	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Trypanosoma brucei	hypothetical protein, conserved	0.0033	0.0486	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0486	0.0744
Mycobacterium tuberculosis	Probable lipase LipE	0.0033	0.0486	0.0744
Mycobacterium ulcerans	beta-lactamase	0.0033	0.0486	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0105	0.2167
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0486	0.0744
Mycobacterium tuberculosis	Probable esterase LipL	0.0033	0.0486	0.0744

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 41 nM	Inhibition of DNA-PK (unknown origin)	ChEMBL.	25387153
IC50 (binding)	= 0.04 uM	Inhibitory activity against DNA-dependent protein kinase (DNA-PK) at 0.5 uM	ChEMBL.	15546735
IC50 (binding)	= 0.04 uM	Inhibitory activity against DNA-dependent protein kinase receptor	ChEMBL.	16302822
IC50 (binding)	= 0.04 uM	Inhibitory activity against DNA-dependent protein kinase (DNA-PK) at 0.5 uM	ChEMBL.	15546735
IC50 (binding)	= 0.04 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

ChEMBL: CHEMBL186048
PubChem: 11668417

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 327835