Detailed information for compound 564251

Basic information

Technical information
  • TDR Targets ID: 564251
  • Name: (4E)-4-[ethoxy(hydroxy)methylene]-1-methyl-py rrolidine-2,3-dione
  • MW: 185.177 | Formula: C8H11NO4
  • H donors: 1 H acceptors: 3 LogP: 0.17 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=C1CN(C(=O)C1=O)C)O
  • InChi: 1S/C8H11NO4/c1-3-13-8(12)5-4-9(2)7(11)6(5)10/h12H,3-4H2,1-2H3/b8-5+
  • InChiKey: YGCJSOIVNYRXSE-VMPITWQZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4E)-4-[ethoxy(hydroxy)methylene]-1-methylpyrrolidine-2,3-dione
  • (4E)-4-[ethoxy(hydroxy)methylidene]-1-methyl-pyrrolidine-2,3-dione
  • (4E)-4-[ethoxy(hydroxy)methylene]-1-methyl-pyrrolidine-2,3-quinone
  • (4E)-4-[ethoxy(hydroxy)methylidene]-1-methylpyrrolidine-2,3-dione
  • ethyl N-methyl-4-hydroxy-5-oxo-3-pyrroline-3-carboxylate iron chelate
  • 4-(ethoxy-hydroxymethylidene)-1-methylpyrrolidine-2,3-dione
  • (4E)-4-(ethoxy-hydroxymethylidene)-1-methylpyrrolidine-2,3-dione
  • (4E)-4-(ethoxy-hydroxy-methylene)-1-methyl-pyrrolidine-2,3-dione
  • 4-(ethoxy-hydroxy-methylene)-1-methyl-pyrrolidine-2,3-dione
  • (4E)-4-(ethoxy-hydroxymethylene)-1-methylpyrrolidine-2,3-dione
  • 4-(ethoxy-hydroxymethylene)-1-methylpyrrolidine-2,3-dione
  • (4E)-4-(ethoxy-hydroxy-methylene)-1-methyl-pyrrolidine-2,3-quinone
  • 4-(ethoxy-hydroxy-methylene)-1-methyl-pyrrolidine-2,3-quinone
  • (4E)-4-(ethoxy-hydroxy-methylidene)-1-methyl-pyrrolidine-2,3-dione
  • 4-(ethoxy-hydroxy-methylidene)-1-methyl-pyrrolidine-2,3-dione
  • 4450-97-9
  • Ethyl 4-hydroxy-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
  • 3-Pyrroline-3-carboxylic acid, 4-hydroxy-1-methyl-5-oxo-, ethyl ester
  • ST5447791
  • Iron chelate, N-methyl-4-hydroxy-5-oxo-3-pyrroline-3-carboxylic acid ethyl ester
  • Opc iron chelate
  • 4-Hydroxy-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid, ethyl ester

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1191 0.3127
Schistosoma mansoni hypothetical protein 0.0034 0.1191 0.1191
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.1431 0.2661
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2218 0.5822
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2218 0.5822
Brugia malayi DNA polymerase alpha catalytic subunit 0.0024 0.0569 0.1494
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.1431 0.2661
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.1431 0.2661
Schistosoma mansoni hypothetical protein 0.0168 1 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0037 0.1431 0.1431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0037 0.1431 0.1431
Echinococcus multilocularis geminin 0.0168 1 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0037 0.1431 0.1431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0037 0.1431 0.1431
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.006 0.2923 0.7266
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0024 0.0569 0.0569
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0074 0.3809 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.2218 0.5822
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0024 0.0569 0.0569
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0024 0.0569 0.0569
Toxoplasma gondii DNA polymerase 0.0074 0.3809 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0037 0.1431 0.2661
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0037 0.1431 0.1431
Loa Loa (eye worm) hypothetical protein 0.0037 0.1431 0.3758
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0024 0.0569 0.0569
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0074 0.3809 1
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0074 0.3809 1
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0074 0.3809 0.3809
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0074 0.3809 1
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0024 0.0569 0.0569
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0074 0.3809 0.5
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0074 0.3809 1
Schistosoma mansoni hypothetical protein 0.0168 1 1
Brugia malayi DNA polymerase delta catalytic subunit 0.0074 0.3809 1
Brugia malayi DNA polymerase family B containing protein 0.0024 0.0569 0.1494
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0037 0.1431 0.1431
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0024 0.0569 0.1494
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0024 0.0569 0.0569
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0074 0.3809 0.3809
Echinococcus multilocularis ubiquitin specific protease 41 0.0037 0.1431 0.1431
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0024 0.0569 0.0569
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.1431 0.2661
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0074 0.3809 1
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0074 0.3809 0.3809
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.1431 0.2661
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0074 0.3809 1
Echinococcus granulosus ubiquitin specific protease 41 0.0037 0.1431 0.1431
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0024 0.0569 0.0569
Loa Loa (eye worm) hypothetical protein 0.0024 0.0569 0.1494
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.0074 0.3809 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1191 0.3127
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.1431 0.2661
Giardia lamblia DNA polymerase delta, catalytic subunit 0.0074 0.3809 1
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0024 0.0569 0.0569
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0037 0.1431 0.2661
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0037 0.1431 0.3758
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2218 0.5822

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

Bibliographic References

No literature references available for this target.

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