Detailed information for compound 79669

Basic information

Technical information
  • TDR Targets ID: 79669
  • Name: 1-[4-(2-phenethylphenoxy)butyl]pyrrolidine-2- carboxylic acid
  • MW: 367.481 | Formula: C23H29NO3
  • H donors: 1 H acceptors: 2 LogP: 2.7 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1CCCN1CCCCOc1ccccc1CCc1ccccc1
  • InChi: 1S/C23H29NO3/c25-23(26)21-12-8-17-24(21)16-6-7-18-27-22-13-5-4-11-20(22)15-14-19-9-2-1-3-10-19/h1-5,9-11,13,21H,6-8,12,14-18H2,(H,25,26)
  • InChiKey: HNWRDPMIUFAEPM-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[4-(2-phenethylphenoxy)butyl]-2-pyrrolidinecarboxylic acid
  • 1-[4-(2-phenethylphenoxy)butyl]proline
  • 1-[4-[2-(2-phenylethyl)phenoxy]butyl]pyrrolidine-2-carboxylic acid
  • 1-[4-[2-(2-phenylethyl)phenoxy]butyl]-2-pyrrolidinecarboxylic acid
  • 1-[4-[2-(2-phenylethyl)phenoxy]butyl]proline

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 Glycosyl hydrolases family 38 protein 0.0044 0.1032 1
Onchocerca volvulus 0.0044 0.1032 0.5
Schistosoma mansoni beta-galactosidase 0.0155 0.5521 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0 0.5
Mycobacterium ulcerans alpha-mannosidase 0.0044 0.1032 1
Plasmodium vivax hypothetical protein, conserved 0.0059 0.164 1
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0044 0.1032 0.187
Brugia malayi Glycosyl hydrolases family 38 protein 0.0044 0.1032 1
Echinococcus granulosus beta galactosidase 0.0155 0.5521 1
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0044 0.1032 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Echinococcus multilocularis beta galactosidase 0.0155 0.5521 1
Toxoplasma gondii exonuclease III APE 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0155 0.5521 0.5521
Schistosoma mansoni mannosidase alpha class 2a 0.0044 0.1032 0.187
Echinococcus granulosus lysosomal alpha mannosidase 0.008 0.2484 0.4499
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0 0.5
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.008 0.2484 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0059 0.164 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0391 0.0391
Onchocerca volvulus 0.0044 0.1032 0.5
Echinococcus multilocularis lysosomal alpha mannosidase 0.008 0.2484 0.4499
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0028 0.0391 0.0708
Loa Loa (eye worm) hypothetical protein 0.0064 0.1842 0.1842
Loa Loa (eye worm) hypothetical protein 0.0044 0.1032 0.1032
Trichomonas vaginalis alpha-mannosidase, putative 0.0044 0.1032 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.1032 0.1032
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.008 0.2484 0.4499
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0 0.5
Echinococcus multilocularis alpha mannosidase 2 0.0044 0.1032 0.187
Brugia malayi lysosomal alpha-mannosidase 0.0044 0.1032 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0067 0.195 0.785
Brugia malayi Glycosyl hydrolases family 38 protein 0.0044 0.1032 1
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.008 0.2484 1
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.008 0.2484 1
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.0044 0.1032 0.1032

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 18 uM In vitro inhibition of collagen induced platelet aggregation of rabbit platelet rich plasma ChEMBL. 2342076

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

1 literature reference was collected for this gene.

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