TDR Targets

Basic information

Technical information

TDR Targets ID: 345577
Name: 7-hydroxy-2-morpholin-4-ylchromen-4-one
MW: 247.247 | Formula: C13H13NO4
H donors: 1 H acceptors: 2 LogP: 1.15 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc2c(c1)oc(cc2=O)N1CCOCC1
InChi: 1S/C13H13NO4/c15-9-1-2-10-11(16)8-13(18-12(10)7-9)14-3-5-17-6-4-14/h1-2,7-8,15H,3-6H2
InChiKey: ULTRFFGNTUDFJW-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-hydroxy-2-morpholino-chromen-4-one
7-hydroxy-2-morpholino-1-benzopyran-4-one
7-hydroxy-2-morpholin-4-yl-chromen-4-one
7-hydroxy-2-morpholino-chromone
7-hydroxy-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
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0103	0.2148	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0117	0.2653	1
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0103	0.2148	1
Toxoplasma gondii	hypothetical protein	0.0086	0.1492	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0117	0.2653	0.2384
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0117	0.2653	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0058	0.0447	0.2079
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0117	0.2653	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0103	0.2148	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0599	0.2257
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0103	0.2148	0.7808
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0352	0.1328
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0103	0.2148	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0352	0.1328
Loa Loa (eye worm)	hypothetical protein	0.0117	0.2653	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0103	0.2148	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0117	0.2653	0.2384
Brugia malayi	photoreceptor-specific nuclear receptor	0.0117	0.2653	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0599	0.2257
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.1492	0.6943
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0117	0.2653	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0117	0.2653	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0117	0.2653	0.2384
Brugia malayi	nuclear hormone receptor	0.0117	0.2653	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0117	0.2653	0.2384
Loa Loa (eye worm)	hypothetical protein	0.0117	0.2653	1
Brugia malayi	hypothetical protein	0.0062	0.0599	0.1071
Brugia malayi	Nuclear hormone receptor-like 1	0.0062	0.0599	0.1071
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0103	0.2148	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0063	0.0657	0.3057
Plasmodium vivax	hypothetical protein, conserved	0.0046	0	0.5
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0063	0.0657	0.1323
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0117	0.2653	1
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0313	1	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0352	0.1328
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0657	0.2476
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0117	0.2653	1
Onchocerca volvulus		0.0117	0.2653	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0103	0.2148	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0352	0.1328
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Loa Loa (eye worm)	hypothetical protein	0.0117	0.2653	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0117	0.2653	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0117	0.2653	1
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0117	0.2653	1
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0103	0.2148	0.5
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0352	0.1328
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0117	0.2653	0.2384
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Echinococcus granulosus	FTZ F1 alpha	0.0117	0.2653	0.2384
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.1492	0.6943
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0117	0.2653	0.2384
Schistosoma mansoni	nuclear hormone receptor	0.0117	0.2653	1
Brugia malayi	steroid hormone receptor	0.0117	0.2653	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0055	0.0352	0.1328
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0062	0.0599	0.0255
Schistosoma mansoni	coup transcription factor	0.0117	0.2653	1
Brugia malayi	nuclear receptor NHR-88	0.0117	0.2653	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0062	0.0599	0.2257
Schistosoma mansoni	retinoic acid receptor RXR	0.0117	0.2653	1
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.2391	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0352	0.1328
Loa Loa (eye worm)	hypothetical protein	0.0117	0.2653	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0352	0.1328
Brugia malayi	ecdysteroid receptor	0.0117	0.2653	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0063	0.0657	0.1323
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.1492	0.6943
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0117	0.2653	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0062	0.0599	0.0255
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0117	0.2653	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0599	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0352	0.1328
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0352	0.1328
Loa Loa (eye worm)	hypothetical protein	0.0117	0.2653	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0103	0.2148	1
Brugia malayi	Steroid receptor seven-up type 2	0.0117	0.2653	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0352	0.1328
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0117	0.2653	0.2384
Trichomonas vaginalis	conserved hypothetical protein	0.0103	0.2148	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0599	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0117	0.2653	1
Leishmania major	hypothetical protein, conserved	0.0114	0.2548	1
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0046	0	0.5
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0058	0.0447	0.2079
Mycobacterium leprae	conserved hypothetical protein	0.0046	0	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0117	0.2653	1
Brugia malayi	nuclear receptor RXR	0.0062	0.0599	0.1071
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0117	0.2653	0.2384
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0117	0.2653	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0117	0.2653	0.2384
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0352	0.1328
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0062	0.0599	0.1071
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0063	0.0657	0.0316
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0063	0.0657	0.0316
Mycobacterium ulcerans	putative regulatory protein	0.0046	0	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0117	0.2653	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0117	0.2653	0.2384
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0117	0.2653	1
Loa Loa (eye worm)	hypothetical protein	0.0117	0.2653	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0103	0.2148	0.8752
Echinococcus multilocularis	ecdysone induced protein 78C	0.0117	0.2653	0.2384
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Loa Loa (eye worm)	hypothetical protein	0.0117	0.2653	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0103	0.2148	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0062	0.0599	0.1071
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0046	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0352	0.1328
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0117	0.2653	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0063	0.0657	0.3057
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0117	0.2653	0.2384
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0117	0.2653	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0117	0.2653	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0055	0.0352	0.1328
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0103	0.2148	0.5
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Mycobacterium ulcerans	putative regulatory protein	0.0046	0	0.5
Brugia malayi	hypothetical protein	0.0062	0.0599	0.1071
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0117	0.2653	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0117	0.2653	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0352	0.1328
Loa Loa (eye worm)	DR-78	0.0055	0.0352	0.1328
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0046	0	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0117	0.2653	1
Echinococcus multilocularis	FTZ F1 alpha	0.0117	0.2653	0.2384
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0599	0.2257
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0117	0.2653	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0062	0.0599	0.1071
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0117	0.2653	1
Plasmodium falciparum	GAF domain-related protein, putative	0.0046	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0117	0.2653	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0117	0.2653	0.2384
Echinococcus granulosus	ecdysone induced protein 78C	0.0117	0.2653	0.2384
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0117	0.2653	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0117	0.2653	1
Onchocerca volvulus	Bile acid receptor homolog	0.0117	0.2653	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0103	0.2148	0.8752
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0103	0.2148	0.8752
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0103	0.2148	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0063	0.0657	0.3057
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0055	0.0352	0.1328
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0063	0.0657	0.1323
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0117	0.2653	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0117	0.2653	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0103	0.2148	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0117	0.2653	1
Schistosoma mansoni	thyroid hormone receptor	0.0117	0.2653	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0117	0.2653	1
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0103	0.2148	0.1862
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0103	0.2148	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0117	0.2653	1
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0103	0.2148	0.1862
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0117	0.2653	0.2384
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0117	0.2653	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0117	0.2653	0.2384

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.45 uM	Inhibitory activity against DNA-dependent protein kinase receptor	ChEMBL.	16302822
IC50 (binding)	= 0.45 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: CHEMBL197536
PubChem: 11715743

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 345577