TDR Targets

Basic information

Technical information

TDR Targets ID: 768889
Name: methyl 2-[4-[(E)-(2,5-dioxoimidazolidin-4-yli dene)methyl]phenoxy]acetate
MW: 276.245 | Formula: C13H12N2O5
H donors: 2 H acceptors: 3 LogP: 0.97 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)COc1ccc(cc1)/C=C\1/NC(=O)NC1=O
InChi: 1S/C13H12N2O5/c1-19-11(16)7-20-9-4-2-8(3-5-9)6-10-12(17)15-13(18)14-10/h2-6H,7H2,1H3,(H2,14,15,17,18)/b10-6+
InChiKey: CAHAJDISWKKXQK-UXBLZVDNSA-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

2-[4-[(E)-(2,5-dioxo-4-imidazolidinylidene)methyl]phenoxy]acetic acid methyl ester
2-[4-[(E)-(2,5-diketoimidazolidin-4-ylidene)methyl]phenoxy]acetic acid methyl ester
methyl 2-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]ethanoate
ZINC00858656

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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)	hypothetical protein	0.0026	0.0558	0.1102
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.1	0.5
Schistosoma mansoni	hypothetical protein	0.0016	0.0087	0.0205
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0121	0.0349
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.006	0.2099	0.8805
Echinococcus multilocularis	lamin	0.0027	0.0581	0.2159
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.1	0.5
Echinococcus granulosus	histone lysine methyltransferase setb	0.0017	0.0121	0.0147
Onchocerca volvulus		0.0036	0.1	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0087	0.0205
Onchocerca volvulus		0.0036	0.1	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.1	0.1975
Mycobacterium ulcerans	lipase LipD	0.0036	0.1	0.5
Schistosoma mansoni	bromodomain containing protein	0.0063	0.2265	0.9542
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0121	0.0349
Schistosoma mansoni	lamin	0.0027	0.0581	0.232
Brugia malayi	MH2 domain containing protein	0.0123	0.5064	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0087	0.0173
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.1	0.5
Schistosoma mansoni	zinc finger protein	0.002	0.0238	0.0851
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0581	0.1147
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0087	0.0173
Mycobacterium ulcerans	hypothetical protein	0.0036	0.1	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.1	0.1975
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0376	0.1441
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1	0.1975
Brugia malayi	Bromodomain containing protein	0.0075	0.2809	0.5547
Brugia malayi	RNA binding protein	0.0065	0.2372	0.4685
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0087	0.0173
Leishmania major	hypothetical protein, conserved	0.0036	0.1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.122	0.2408
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.1	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0121	0.0349
Echinococcus multilocularis	zinc finger protein	0.002	0.0238	0.0659
Brugia malayi	PHD-finger family protein	0.0025	0.0485	0.0959
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0967	0.1909
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1	0.1975
Brugia malayi	beta-lactamase	0.0036	0.1	0.1975
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0581	0.1147
Schistosoma mansoni	lamin	0.0027	0.0581	0.232
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0121	0.0147
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0967	0.1909
Mycobacterium leprae	Probable lipase LipE	0.0036	0.1	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.1	0.4117
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1	0.1975
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1	0.1975
Schistosoma mansoni	hypothetical protein	0.0016	0.0087	0.0205
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.2372	0.4685
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0287	0.0567
Loa Loa (eye worm)	hypothetical protein	0.0038	0.111	0.2192
Mycobacterium ulcerans	beta-lactamase	0.0036	0.1	0.5
Echinococcus granulosus	intermediate filament protein	0.0027	0.0581	0.2159
Echinococcus granulosus	lamin	0.0027	0.0581	0.2159
Toxoplasma gondii	ABC1 family protein	0.0036	0.1	0.5
Loa Loa (eye worm)	beta-lactamase	0.0036	0.1	0.1975
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.1	0.4117
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.1724	0.3405
Brugia malayi	intermediate filament protein	0.0027	0.0581	0.1147
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1308	0.2583
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0087	0.0173
Trichomonas vaginalis	esterase, putative	0.0036	0.1	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.1	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.2372	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.261	0.5155
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.2372	0.4685
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.1	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.2372	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0123	0.5064	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.1	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0581	0.1147
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.1	1
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0121	0.0239
Schistosoma mansoni	hypothetical protein	0.0035	0.0967	0.3974
Echinococcus granulosus	zinc finger protein	0.002	0.0238	0.0659
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.1	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.1	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.2372	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.2372	1
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0121	0.0147
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.1	0.3994
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0581	0.1147
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1724	0.3405
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0997	0.3979
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1	0.1975
Loa Loa (eye worm)	RNA binding protein	0.0065	0.2372	0.4685
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0376	0.1261
Echinococcus granulosus	lamin dm0	0.0027	0.0581	0.2159
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0997	0.3979
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0581	0.232
Loa Loa (eye worm)	transcription factor SMAD2	0.0123	0.5064	1
Brugia malayi	beta-lactamase family protein	0.0036	0.1	0.1975
Brugia malayi	TAR-binding protein	0.0065	0.2372	0.4685
Echinococcus granulosus	tar DNA binding protein	0.0065	0.2372	1
Brugia malayi	Bromodomain containing protein	0.0038	0.1106	0.2185
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.2372	0.4685
Echinococcus multilocularis	musashi	0.0027	0.0581	0.2159
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.006	0.2099	0.8805
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0121	0.0349
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.1724	0.3405
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.1	0.3994
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.1724	0.3405
Onchocerca volvulus		0.0036	0.1	1
Echinococcus multilocularis	lamin dm0	0.0027	0.0581	0.2159
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0376	0.1261
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.2372	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0017	0.0121	0.0147
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.2372	1
Schistosoma mansoni	hypothetical protein	0.0021	0.0287	0.1061
Schistosoma mansoni	hypothetical protein	0.0016	0.0087	0.0205
Brugia malayi	beta-lactamase family protein	0.0036	0.1	0.1975
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1	0.1975
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.0149	0.0295

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 768889