Detailed information for compound 661201

Basic information

Technical information
  • TDR Targets ID: 661201
  • Name: (4-nitrophenyl)methyl 2-(1,3-dioxoisoindol-2- yl)acetate
  • MW: 340.287 | Formula: C17H12N2O6
  • H donors: 0 H acceptors: 5 LogP: 2.14 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)c2c(C1=O)cccc2)OCc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C17H12N2O6/c20-15(25-10-11-5-7-12(8-6-11)19(23)24)9-18-16(21)13-3-1-2-4-14(13)17(18)22/h1-8H,9-10H2
  • InChiKey: LMNTVRZNWHUEIT-UHFFFAOYSA-N  

Network

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Synonyms

  • (4-nitrophenyl)methyl 2-(1,3-dioxoisoindolin-2-yl)acetate
  • 2-(1,3-dioxo-2-isoindolinyl)acetic acid (4-nitrophenyl)methyl ester
  • 2-(1,3-diketoisoindolin-2-yl)acetic acid (4-nitrobenzyl) ester
  • (4-nitrophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)ethanoate
  • (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid 4-nitro-benzyl ester
  • BAS 00403143
  • Oprea1_023537
  • ST5227764
  • ZINC00307339

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
Echinococcus multilocularis lysosomal alpha glucosidase 0.0167 0.4811 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0296 1 1
Echinococcus multilocularis carboxylesterase 5A 0.015 0.4123 0.8571
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.3744 0.3643
Loa Loa (eye worm) hypothetical protein 0.015 0.4123 0.8571
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 0.4379 0.5
Echinococcus granulosus geminin 0.0166 0.4775 0.9926
Onchocerca volvulus 0.0097 0.1991 0.5
Mycobacterium ulcerans hypothetical protein 0.0156 0.4379 0.5
Schistosoma mansoni alpha-glucosidase 0.0144 0.3879 0.8124
Loa Loa (eye worm) hypothetical protein 0.015 0.4123 0.8571
Brugia malayi Glycosyl hydrolases family 31 protein 0.0167 0.4811 1
Toxoplasma gondii hypothetical protein 0.0048 0.0038 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0169 0.0351
Schistosoma mansoni hypothetical protein 0.0166 0.4775 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 1 1
Schistosoma mansoni hypothetical protein 0.0166 0.4775 1
Brugia malayi Carboxylesterase family protein 0.015 0.4123 0.8571
Schistosoma mansoni alpha-glucosidase 0.0144 0.3879 0.8124
Echinococcus granulosus acetylcholinesterase 0.015 0.4123 0.8571
Echinococcus multilocularis acetylcholinesterase 0.015 0.4123 0.8571
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0169 0.0351
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0167 0.4811 1
Echinococcus multilocularis geminin 0.0166 0.4775 0.9926
Brugia malayi Carboxylesterase family protein 0.015 0.4123 0.8571
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0169 0.0351
Echinococcus multilocularis acetylcholinesterase 0.015 0.4123 0.8571
Loa Loa (eye worm) carboxylesterase 0.015 0.4123 0.8571
Echinococcus granulosus carboxylesterase 5A 0.015 0.4123 0.8571
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0169 0.0351
Echinococcus granulosus acetylcholinesterase 0.015 0.4123 0.8571
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.015 0.4123 0.8634
Echinococcus multilocularis lysosomal alpha glucosidase 0.0167 0.4811 1
Loa Loa (eye worm) acetylcholinesterase 1 0.015 0.4123 0.8571
Echinococcus granulosus lysosomal alpha glucosidase 0.0167 0.4811 1

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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