Detailed information for compound 768891

Basic information

Technical information
  • TDR Targets ID: 768891
  • Name: methyl 2-[2-[(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)COc1ccccc1/C=C\1/NC(=O)NC1=O
  • InChi: 1S/C13H12N2O5/c1-19-11(16)7-20-10-5-3-2-4-8(10)6-9-12(17)15-13(18)14-9/h2-6H,7H2,1H3,(H2,14,15,17,18)/b9-6+
  • InChiKey: GQDLKCOPJUBLPM-RMKNXTFCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl 2-[2-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate
  • 2-[2-[(E)-(2,5-dioxo-4-imidazolidinylidene)methyl]phenoxy]acetic acid methyl ester
  • 2-[2-[(2,5-dioxo-4-imidazolidinylidene)methyl]phenoxy]acetic acid methyl ester
  • 2-[2-[(E)-(2,5-diketoimidazolidin-4-ylidene)methyl]phenoxy]acetic acid methyl ester
  • 2-[2-[(2,5-diketoimidazolidin-4-ylidene)methyl]phenoxy]acetic acid methyl ester
  • methyl 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]ethanoate
  • methyl 2-[2-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]ethanoate
  • SMR000270367
  • methyl {2-[(2,5-dioxo-4-imidazolidinylidene)methyl]phenoxy}acetate
  • STK165222
  • ZINC00858880
  • MLS000665149

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Schistosoma mansoni thyroid hormone receptor 0.0131 0.7157 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0101 0.0101
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0101 0.0101
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0101 0.0101
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0101 0.0101
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0101 0.0142
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0101 0.0101
Schistosoma mansoni hypothetical protein 0.0015 0.0421 0.0588
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0101 0.0101
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3092 0.432
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.001 0.0101 0.0101
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.6238 0.6238
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0101 0.0101
Brugia malayi ecdysteroid receptor 0.001 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.001 0.0101 0.0101
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0101 0.0101
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.001 0.0101 0.0101
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0101 0.0142
Brugia malayi MH2 domain containing protein 0.0116 0.6238 0.6238
Loa Loa (eye worm) hypothetical protein 0.0048 0.2334 0.2334
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0101 0.0142
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0101 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0421 0.0421
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0101 0.0142
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0101 0.0101
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0101 0.0101
Schistosoma mansoni hypothetical protein 0.0033 0.1448 0.2024
Brugia malayi Cytochrome P450 family protein 0.0025 0.0992 0.0992
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0101 0.0142
Echinococcus multilocularis tar DNA binding protein 0.0061 0.3092 0.3092
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.3092 0.3092
Echinococcus multilocularis muscleblind protein 1 0.018 1 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.6591 0.6591
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3092 0.432
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0101 1
Schistosoma mansoni hypothetical protein 0.0015 0.0421 0.0588
Loa Loa (eye worm) RNA binding protein 0.0061 0.3092 0.3092
Schistosoma mansoni hypothetical protein 0.0015 0.0421 0.0588
Echinococcus granulosus GPCR family 2 0.0015 0.0421 0.0421
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0101 0.0101
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.6591 0.6591
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0421 0.0421
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0101 0.0101
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0101 1
Schistosoma mansoni hypothetical protein 0.0015 0.0421 0.0588
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0101 0.0101
Schistosoma mansoni coup transcription factor 0.001 0.0101 0.0142
Brugia malayi nuclear receptor NHR-88 0.001 0.0101 0.0101
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0101 0.0101
Brugia malayi TAR-binding protein 0.0061 0.3092 0.3092
Loa Loa (eye worm) TAR-binding protein 0.0061 0.3092 0.3092
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0101 0.0101
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0101 0.0101
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0101 0.0101
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3092 0.432
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0101 0.0101
Schistosoma mansoni nuclear hormone receptor 0.001 0.0101 0.0142
Loa Loa (eye worm) hypothetical protein 0.0033 0.1448 0.1448
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0101 0.0101
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0101 0.0101
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0421 0.0421
Schistosoma mansoni thyroid hormone receptor 0.0131 0.7157 1
Onchocerca volvulus 0.001 0.0101 1
Brugia malayi nuclear hormone receptor 0.001 0.0101 0.0101
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0101 0.0101
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3092 0.432
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0101 0.0101
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0101 0.0101
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0101 0.0101
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.2334 0.2334
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0101 0.0101
Echinococcus granulosus tar DNA binding protein 0.0061 0.3092 0.3092
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.2334 0.2334
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.001 0.0101 0.0101
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0101 0.0101
Schistosoma mansoni hypothetical protein 0.0122 0.6591 0.9209
Brugia malayi steroid hormone receptor 0.001 0.0101 0.0101
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0101 0.0101
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0421 0.0421
Echinococcus multilocularis thyroid hormone receptor alpha 0.0131 0.7157 0.7157
Brugia malayi RNA binding protein 0.0061 0.3092 0.3092
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0101 0.0101
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0101 0.0142
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.001 0.0101 0.0101
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.2334 0.2334
Loa Loa (eye worm) hypothetical protein 0.001 0.0101 0.0101
Echinococcus multilocularis muscleblind protein 0.018 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.6238 0.6238
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0421 0.0421
Loa Loa (eye worm) hypothetical protein 0.001 0.0101 0.0101
Echinococcus granulosus muscleblind protein 0.018 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1448 0.1448
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0101 0.0101
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0101 0.0101
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0101 0.0142
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0101 0.0101
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0101 0.0101
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0101 0.0101
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0101 0.0142
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0101 0.0101
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0992 0.0992
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0421 0.0421
Loa Loa (eye worm) hypothetical protein 0.0015 0.0421 0.0421
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3092 0.432
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0101 0.0101
Echinococcus multilocularis GPCR, family 2 0.0015 0.0421 0.0421
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0101 0.0101
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.001 0.0101 0.0101
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0101 0.0142
Echinococcus granulosus FTZ F1 alpha 0.001 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0421 0.0421

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

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

Bibliographic References

No literature references available for this target.

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