Detailed information for compound 1529427

Basic information

Technical information
  • TDR Targets ID: 1529427
  • Name: N-[1-(2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxo pyrrolidin-3-yl]-2-(4-methoxyphenoxy)acetamid e
  • MW: 398.409 | Formula: C21H22N2O6
  • H donors: 1 H acceptors: 2 LogP: 1.75 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)OCC(=O)NC1CN(C(=O)C1)c1ccc2c(c1)OCCO2
  • InChi: 1S/C21H22N2O6/c1-26-16-3-5-17(6-4-16)29-13-20(24)22-14-10-21(25)23(12-14)15-2-7-18-19(11-15)28-9-8-27-18/h2-7,11,14H,8-10,12-13H2,1H3,(H,22,24)
  • InChiKey: DOKSWLLXOGYBJN-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[1-(2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxo-pyrrolidin-3-yl]-2-(4-methoxyphenoxy)acetamide
  • N-[1-(2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxo-3-pyrrolidinyl]-2-(4-methoxyphenoxy)acetamide
  • N-[1-(2,3-dihydro-1,4-benzodioxin-7-yl)-5-keto-pyrrolidin-3-yl]-2-(4-methoxyphenoxy)acetamide
  • N-[1-(2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxo-pyrrolidin-3-yl]-2-(4-methoxyphenoxy)ethanamide
  • G856-7582
  • NCGC00136831-01

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
Schistosoma mansoni hypothetical protein 0.0035 0.0776 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0119 0.0198
Loa Loa (eye worm) hypothetical protein 0.0147 0.5245 0.8703
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0776 0.1282
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0352 0.0236
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0186 0.0131
Brugia malayi hypothetical protein 0.0035 0.0776 0.1292
Brugia malayi Muscleblind-like protein 0.0147 0.5245 0.8728
Loa Loa (eye worm) hypothetical protein 0.0166 0.6009 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.5245 0.8703
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0265 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0186 0.0068
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0265 1 1
Schistosoma mansoni ap endonuclease 0.0021 0.0186 0.1023
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0352 1
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0186 0.031
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0186 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0352 1
Leishmania major hypothetical protein, conserved 0.0025 0.0352 0.0236
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0186 1
Brugia malayi hypothetical protein 0.0166 0.6009 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0186 0.0068
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0352 0.0236
Onchocerca volvulus 0.0166 0.6009 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0186 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0186 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0186 0.0068
Entamoeba histolytica hypothetical protein 0.0035 0.0776 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0186 0.0131
Loa Loa (eye worm) hypothetical protein 0.0025 0.0352 0.0395
Echinococcus multilocularis muscleblind protein 1 0.0147 0.5245 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0186 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0352 0.0236
Echinococcus multilocularis muscleblind protein 0.0147 0.5245 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0186 0.1023
Entamoeba histolytica hypothetical protein 0.0035 0.0776 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0186 0.0068
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0776 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0119 0.0198
Brugia malayi hypothetical protein 0.0025 0.0352 0.0586
Entamoeba histolytica hypothetical protein 0.0035 0.0776 1
Schistosoma mansoni ap endonuclease 0.0021 0.0186 0.1023
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0186 1
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0186 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0352 1
Echinococcus granulosus muscleblind protein 0.0147 0.5245 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0186 0.0114
Entamoeba histolytica hypothetical protein 0.0035 0.0776 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0776 0.1282
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0352 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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