TDR Targets

Basic information

Technical information

TDR Targets ID: 1722533
Name: diethyl 4-methylidene-5-oxooxolane-3,3-dicarb oxylate
MW: 242.225 | Formula: C11H14O6
H donors: 0 H acceptors: 3 LogP: 0.96 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1(COC(=O)C1=C)C(=O)OCC
InChi: 1S/C11H14O6/c1-4-15-9(13)11(10(14)16-5-2)6-17-8(12)7(11)3/h3-6H2,1-2H3
InChiKey: DWTRUJZBUANZGW-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

diethyl 4-methylene-5-oxo-tetrahydrofuran-3,3-dicarboxylate
4-methylene-5-oxotetrahydrofuran-3,3-dicarboxylic acid diethyl ester
5-keto-4-methylene-tetrahydrofuran-3,3-dicarboxylic acid diethyl ester
diethyl 4-methylidene-5-oxo-oxolane-3,3-dicarboxylate
56643-56-2
3,3(2H)-Furandicarboxylic acid, dihydro-4-methylene-5-oxo-, diethyl ester
NSC126873

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ATM serine/threonine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	similar to putative phosphatidylinositol kinase involved in telomere length regulation	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania mexicana	phosphatidylinositol 3-kinase-like protein	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus granulosus	serine protein kinase ATM	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania braziliensis	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Candida albicans	similar to putative phosphatidylinositol kinase involved in telomere length regulation	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	ko:K04728 ataxia telangectasia mutated family protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania major	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	Get druggable targets OG5_128955	All targets in OG5_128955
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_128955	All targets in OG5_128955
Toxoplasma gondii	FATC domain-containing protein	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus multilocularis	serine protein kinase ATM	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania donovani	phosphatidylinositol 3-kinase-like protein	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma brucei gambiense	phosphatidylinositol kinase domain protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Neospora caninum	phosphatidylinositol 3- and 4-kinase domain- containing protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania infantum	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Candida albicans	identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955

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
Loa Loa (eye worm)	melatonin receptor type 1A	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Onchocerca volvulus		0.0018	0.2798	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Onchocerca volvulus		0.0018	0.2798	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0026	0.7418	0.4849
Onchocerca volvulus		0.0018	0.2798	0.5
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0022	0.4987	0.3039
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0022	0.4987	0.4987
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0018	0.2798	0.3772
Onchocerca volvulus		0.0018	0.2798	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Onchocerca volvulus		0.0018	0.2798	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.7418	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Giardia lamblia	GTOR	0.0022	0.4987	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0022	0.4987	0.3039
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Onchocerca volvulus		0.0018	0.2798	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Onchocerca volvulus		0.0018	0.2798	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	G-protein coupled receptor	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0018	0.2798	0.3772
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0022	0.4987	0.4987
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Onchocerca volvulus		0.0018	0.2798	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.4987	0.3039
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Onchocerca volvulus		0.0018	0.2798	0.5
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0018	0.2798	0.5
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0022	0.4987	0.4987
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0022	0.5013	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0018	0.2798	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.4987	0.6723
Onchocerca volvulus		0.0018	0.2798	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0.4987	0.4987
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Onchocerca volvulus		0.0018	0.2798	0.5
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0022	0.4987	0.3039
Onchocerca volvulus		0.0018	0.2798	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0018	0.2798	0.3772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Loa Loa (eye worm)	G-protein coupled receptor	0.0018	0.2798	0.3772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0022	0.4987	0.3039
Onchocerca volvulus		0.0018	0.2798	0.5
Onchocerca volvulus		0.0018	0.2798	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Loa Loa (eye worm)	neuropeptide F receptor	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.4987	0.6723
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Onchocerca volvulus		0.0018	0.2798	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Onchocerca volvulus		0.0018	0.2798	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Loa Loa (eye worm)	TYRA-2 protein	0.0018	0.2798	0.3772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0022	0.4987	0.3039
Onchocerca volvulus		0.0018	0.2798	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0022	0.4987	0.4987
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.4987	0.3039
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2798	0.3772
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0022	0.5013	0.0052
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0022	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.4987	0.4987
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0022	0.4987	0.3039

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.25 uM	Irreversible inhibition of ATM	ChEMBL.	22835870

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: CHEMBL2181114

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 1722533