TDR Targets

Basic information

Technical information

TDR Targets ID: 345668
Name: 7-[2-(2-chlorophenoxy)ethoxy]-2-morpholin-4-y lchromen-4-one
MW: 401.84 | Formula: C21H20ClNO5
H donors: 0 H acceptors: 1 LogP: 3.77 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccccc1OCCOc1ccc2c(c1)oc(cc2=O)N1CCOCC1
InChi: 1S/C21H20ClNO5/c22-17-3-1-2-4-19(17)27-12-11-26-15-5-6-16-18(24)14-21(28-20(16)13-15)23-7-9-25-10-8-23/h1-6,13-14H,7-12H2
InChiKey: BDFNTQKOUOFBOZ-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-[2-(2-chlorophenoxy)ethoxy]-2-morpholino-chromen-4-one
7-[2-(2-chlorophenoxy)ethoxy]-2-morpholino-1-benzopyran-4-one
7-[2-(2-chlorophenoxy)ethoxy]-2-morpholin-4-yl-chromen-4-one
7-[2-(2-chlorophenoxy)ethoxy]-2-morpholino-chromone
7-[2-(2-chlorophenoxy)ethoxy]-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 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
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0049	0.067	0.3116
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0091	0.2149	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0421	0.196
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0091	0.2149	0.2149
Schistosoma mansoni	neurotransmitter gated ion channel	0.0049	0.067	0.3116
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0421	0.196
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0091	0.2149	1
Schistosoma mansoni	nAChR subunit	0.0091	0.2149	1
Onchocerca volvulus		0.0091	0.2149	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0421	0.196
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0042	0.0421	0.196
Leishmania major	hypothetical protein, conserved	0.0114	0.2958	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0421	0.196
Schistosoma mansoni	nAChR subunit	0.0091	0.2149	1
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0091	0.2149	1
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0091	0.2149	0.2149
Schistosoma mansoni	nAChR subunit	0.0091	0.2149	1
Onchocerca volvulus		0.0091	0.2149	1
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0091	0.2149	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.067	0.3116
Onchocerca volvulus		0.0091	0.2149	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0091	0.2149	0.2149
Schistosoma mansoni	nAChR subunit	0.0091	0.2149	1
Echinococcus granulosus	nAChR subunit	0.0049	0.067	0.067
Loa Loa (eye worm)	hypothetical protein	0.0049	0.067	0.3116
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0042	0.0421	0.196
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0421	0.196
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0091	0.2149	0.2149
Loa Loa (eye worm)	hypothetical protein	0.0049	0.067	0.3116
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0421	0.196
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0091	0.2149	0.2149
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0091	0.2149	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0091	0.2149	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0091	0.2149	1
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0091	0.2149	1
Brugia malayi	Cation transporter family protein	0.0091	0.2149	1
Schistosoma mansoni	nAChR subunit	0.0091	0.2149	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0049	0.067	0.3116
Schistosoma mansoni	nAChR subunit	0.0091	0.2149	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0049	0.067	0.3116
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0042	0.0421	0.196
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0421	0.196
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.067	0.3116
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0091	0.2149	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0091	0.2149	1
Entamoeba histolytica	hypothetical protein	0.0049	0.067	0.5
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0091	0.2149	0.2149
Loa Loa (eye worm)	ACC-1 protein	0.0091	0.2149	1
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0091	0.2149	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Schistosoma mansoni	acetylcholine receptor-related	0.0042	0.0421	0.196
Echinococcus multilocularis	glycine receptor subunit beta	0.0091	0.2149	0.2149
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Loa Loa (eye worm)	LGC-31 protein	0.0091	0.2149	1
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0042	0.0421	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0421	0.196
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0421	0.196
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0421	0.196
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0091	0.2149	0.2149
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0421	0.196
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0091	0.2149	0.2149
Brugia malayi	Cation transporter family protein	0.0091	0.2149	1
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0091	0.2149	1
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0091	0.2149	1
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0091	0.2149	0.2149
Brugia malayi	hypothetical protein	0.0042	0.0421	0.196
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0091	0.2149	1
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0042	0.0421	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Schistosoma mansoni	nAChR subunit	0.0042	0.0421	0.196
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0091	0.2149	1
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0091	0.2149	1
Onchocerca volvulus		0.0049	0.067	0.3116
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0042	0.0421	0.196
Onchocerca volvulus		0.0042	0.0421	0.196
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0313	1	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0091	0.2149	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Echinococcus multilocularis	nAChR subunit	0.0091	0.2149	0.2149
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0091	0.2149	0.2149
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0091	0.2149	1
Brugia malayi	hypothetical protein	0.0042	0.0421	0.196
Loa Loa (eye worm)	ACC-1 protein	0.0091	0.2149	1
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0042	0.0421	0.0421
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0042	0.0421	0.196
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0091	0.2149	0.2149
Onchocerca volvulus		0.0091	0.2149	1
Loa Loa (eye worm)	GABA receptor subunit	0.0049	0.067	0.3116
Echinococcus multilocularis	nAChR subunit	0.0049	0.067	0.067
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0091	0.2149	0.2149
Brugia malayi	Cation transporter family protein	0.0091	0.2149	1
Schistosoma mansoni	neurotransmitter gated ion channel	0.0042	0.0421	0.196
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0091	0.2149	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0042	0.0421	0.196
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0091	0.2149	0.2149
Loa Loa (eye worm)	hypothetical protein	0.0049	0.067	0.3116
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0091	0.2149	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.067	0.3116
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0091	0.2149	1
Onchocerca volvulus		0.0042	0.0421	0.196
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0091	0.2149	0.2149
Brugia malayi	excitatory GABA receptor EXP-1A	0.0091	0.2149	1
Onchocerca volvulus	Putative nachr subunit	0.0091	0.2149	1
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0049	0.067	0.3116
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0042	0.0421	0.196
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0049	0.067	0.3116
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0091	0.2149	0.2149
Schistosoma mansoni	nAChR subunit	0.0091	0.2149	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0091	0.2149	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0421	0.196
Loa Loa (eye worm)	hypothetical protein	0.0049	0.067	0.3116
Echinococcus granulosus	glycine receptor subunit beta	0.0091	0.2149	0.2149
Onchocerca volvulus		0.0091	0.2149	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0042	0.0421	0.196
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0421	0.196
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0091	0.2149	0.2149
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0091	0.2149	1
Onchocerca volvulus		0.0091	0.2149	1
Echinococcus granulosus	glycine receptor subunit beta	0.0091	0.2149	0.2149
Brugia malayi	hypothetical protein	0.0042	0.0421	0.196
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0091	0.2149	0.2149
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0042	0.0421	0.0421
Loa Loa (eye worm)	acetylcholine receptor protein	0.0042	0.0421	0.196
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0421	0.196
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0091	0.2149	0.2149
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Brugia malayi	hypothetical protein	0.0042	0.0421	0.196
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0042	0.0421	0.0421
Schistosoma mansoni	nAChR subunit	0.0042	0.0421	0.196
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0091	0.2149	0.2149
Brugia malayi	hypothetical protein	0.0042	0.0421	0.196
Echinococcus granulosus	nAChR subunit	0.0091	0.2149	0.2149
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0049	0.067	0.3116
Loa Loa (eye worm)	hypothetical protein	0.0049	0.067	0.3116
Onchocerca volvulus		0.0042	0.0421	0.196
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2149	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0091	0.2149	1
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0091	0.2149	1
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.281	0.5
Schistosoma mansoni	neurotransmitter gated ion channel	0.0042	0.0421	0.196
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0421	0.196
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0091	0.2149	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0091	0.2149	0.2149
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0091	0.2149	0.2149
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0091	0.2149	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.067	0.3116
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0042	0.0421	0.196
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0091	0.2149	1
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0091	0.2149	0.2149
Onchocerca volvulus		0.0049	0.067	0.3116

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.3 uM	Inhibitory activity against DNA-dependent protein kinase receptor	ChEMBL.	16302822
IC50 (binding)	= 2.3 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: 11516928

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 345668