Detailed information for compound 880311

Basic information

Technical information
  • TDR Targets ID: 880311
  • Name: [2-oxo-2-[(2-propan-2-ylphenyl)amino]ethyl] 1 ,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxy late
  • MW: 470.516 | Formula: C28H26N2O5
  • H donors: 1 H acceptors: 4 LogP: 4.74 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1C(C)C)COC(=O)c1ccc2c(c1)C(=O)N(C2=O)CCc1ccccc1
  • InChi: 1S/C28H26N2O5/c1-18(2)21-10-6-7-11-24(21)29-25(31)17-35-28(34)20-12-13-22-23(16-20)27(33)30(26(22)32)15-14-19-8-4-3-5-9-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,29,31)
  • InChiKey: POJIHELGIIOZSU-UHFFFAOYSA-N  

Network

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Synonyms

  • [2-[(2-isopropylphenyl)amino]-2-oxo-ethyl] 1,3-dioxo-2-(2-phenylethyl)isoindoline-5-carboxylate
  • 1,3-dioxo-2-(2-phenylethyl)-5-isoindolinecarboxylic acid [2-[(2-isopropylphenyl)amino]-2-oxoethyl] ester
  • 1,3-diketo-2-(2-phenylethyl)isoindoline-5-carboxylic acid [2-[(2-isopropylphenyl)amino]-2-keto-ethyl] ester
  • ZINC00950518
  • ST5203141

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 Peptidase M1, membrane alanine aminopeptidase, N terminal 0.011 0.2125 0.2125
Trypanosoma brucei Aminopeptidase M1, putative 0.011 0.2125 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.011 0.2125 0.5
Brugia malayi hypothetical protein 0.011 0.2125 0.2125
Echinococcus granulosus puromycin sensitive aminopeptidase 0.011 0.2125 0.2125
Echinococcus granulosus puromycin sensitive aminopeptidase 0.011 0.2125 0.2125
Loa Loa (eye worm) aminopeptidase N 0.011 0.2125 0.2403
Echinococcus granulosus puromycin sensitive aminopeptidase 0.011 0.2125 0.2125
Trypanosoma brucei Aminopeptidase M1, putative 0.011 0.2125 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.011 0.2125 0.2125
Mycobacterium ulcerans epoxide hydrolase EphA 0.0159 0.3581 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.011 0.2125 0.5
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.011 0.2125 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.011 0.2125 0.2125
Onchocerca volvulus 0.011 0.2125 0.2125
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.011 0.2125 0.2125
Entamoeba histolytica aminopeptidase, putative 0.011 0.2125 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.011 0.2125 0.2125
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.011 0.2125 0.2125
Loa Loa (eye worm) hypothetical protein 0.0264 0.6715 0.7592
Loa Loa (eye worm) hypothetical protein 0.0336 0.8845 1
Onchocerca volvulus 0.0375 1 1
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0159 0.3581 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.011 0.2125 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.011 0.2125 0.5
Trypanosoma cruzi Aminopeptidase M1, putative 0.011 0.2125 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.011 0.2125 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.011 0.2125 0.5
Echinococcus multilocularis aminopeptidase N 0.0375 1 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0072 0.097 0.097
Echinococcus granulosus aminopeptidase N 0.0375 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.097 0.1097
Brugia malayi Peptidase family M1 containing protein 0.011 0.2125 0.2125
Echinococcus granulosus puromycin sensitive aminopeptidase 0.011 0.2125 0.2125
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0072 0.097 0.4565
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.011 0.2125 0.5
Trypanosoma cruzi aminopeptidase, putative 0.011 0.2125 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.097 0.1097
Loa Loa (eye worm) peptidase family M1 containing protein 0.0303 0.787 0.8898

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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