Detailed information for compound 332661

Basic information

Technical information
  • TDR Targets ID: 332661
  • Name: [(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrr olidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-c yclopentylmethanone
  • MW: 464.596 | Formula: C28H36N2O4
  • H donors: 0 H acceptors: 4 LogP: 4.47 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)C1CCCC1)C1CCCC1
  • InChi: 1S/C28H36N2O4/c31-25(19-8-1-2-9-19)23-14-6-16-29(23)27(33)21-12-5-13-22(18-21)28(34)30-17-7-15-24(30)26(32)20-10-3-4-11-20/h5,12-13,18-20,23-24H,1-4,6-11,14-17H2/t23-,24-/m0/s1
  • InChiKey: LBGXXEIDBSNVNA-ZEQRLZLVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(2S)-1-[3-[(2S)-2-(cyclopentanecarbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-cyclopentyl-methanone
  • cyclopentyl-[(2S)-1-[[3-[[(2S)-2-[cyclopentyl(oxo)methyl]-1-pyrrolidinyl]-oxomethyl]phenyl]-oxomethyl]-2-pyrrolidinyl]methanone
  • cyclopentyl-[(2S)-1-[3-[(2S)-2-cyclopentylcarbonylpyrrolidin-1-yl]carbonylphenyl]carbonylpyrrolidin-2-yl]methanone
  • cyclopentyl-[(2S)-1-[[3-[[(2S)-2-(cyclopentyl-oxomethyl)-1-pyrrolidinyl]-oxomethyl]phenyl]-oxomethyl]-2-pyrrolidinyl]methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa Prolyl endopeptidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni prolyl oligopeptidase (S09 family) Get druggable targets OG5_129295 All targets in OG5_129295
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) Get druggable targets OG5_129295 All targets in OG5_129295
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative Get druggable targets OG5_129295 All targets in OG5_129295
Trypanosoma brucei prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Leishmania infantum prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative Get druggable targets OG5_129295 All targets in OG5_129295
Schistosoma mansoni prolyl oligopeptidase (S09 family) Get druggable targets OG5_129295 All targets in OG5_129295
Leishmania donovani prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Trypanosoma cruzi prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129295 All targets in OG5_129295
Neospora caninum Prolyl oligopeptidase (EC 3.4.21.26) (Precursor), related Get druggable targets OG5_129295 All targets in OG5_129295
Echinococcus multilocularis prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Schistosoma japonicum Prolyl endopeptidase, putative Get druggable targets OG5_129295 All targets in OG5_129295
Schistosoma japonicum ko:K01322 prolyl oligopeptidase [EC3.4.21.26], putative Get druggable targets OG5_129295 All targets in OG5_129295
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_129295 All targets in OG5_129295
Echinococcus granulosus prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Onchocerca volvulus Prolyl endopeptidase homolog Get druggable targets OG5_129295 All targets in OG5_129295
Trypanosoma congolense prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Leishmania mexicana prolyl oligopeptidase, putative Get druggable targets OG5_129295 All targets in OG5_129295
Trypanosoma brucei gambiense prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative Get druggable targets OG5_129295 All targets in OG5_129295
Toxoplasma gondii prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania donovani oligopeptidase b Prolyl endopeptidase   710 aa 743 aa 24.4 %
Trypanosoma brucei gambiense oligopeptidase B, putative Prolyl endopeptidase   710 aa 629 aa 26.4 %
Trypanosoma congolense oligopeptidase b Prolyl endopeptidase   710 aa 589 aa 27.8 %
Leishmania mexicana oligopeptidase b,serine peptidase, clan SC, family S9A-like protein Prolyl endopeptidase   710 aa 720 aa 24.7 %
Trypanosoma cruzi oligopeptidase b Prolyl endopeptidase   710 aa 719 aa 25.6 %
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) Prolyl endopeptidase   710 aa 741 aa 25.6 %
Trypanosoma cruzi oligopeptidase b Prolyl endopeptidase   710 aa 719 aa 25.6 %
Dictyostelium discoideum oligopeptidase B Prolyl endopeptidase   710 aa 735 aa 23.7 %
Trypanosoma brucei oligopeptidase b Prolyl endopeptidase   710 aa 630 aa 26.3 %
Onchocerca volvulus Prolyl endopeptidase   710 aa 722 aa 47.6 %
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB Prolyl endopeptidase   710 aa 714 aa 26.5 %
Leishmania infantum oligopeptidase b;with=GeneDB:LmjF09.0770 Prolyl endopeptidase   710 aa 743 aa 24.4 %
Leishmania major oligopeptidase b Prolyl endopeptidase   710 aa 743 aa 24.9 %
Leishmania braziliensis oligopeptidase b;with=GeneDB:LmjF09.0770 Prolyl endopeptidase   710 aa 608 aa 26.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0049 0.0176 0.0455
Loa Loa (eye worm) hypothetical protein 0.0092 0.1647 0.4246
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0092 0.1647 0.4246
Trichomonas vaginalis conserved hypothetical protein 0.0339 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0092 0.1647 0.4246
Schistosoma mansoni nuclear hormone receptor 0.0092 0.1647 0.4246
Trichomonas vaginalis conserved hypothetical protein 0.0254 0.7134 0.6669
Loa Loa (eye worm) hypothetical protein 0.0092 0.1647 0.4246
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0092 0.1647 0.4246
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0092 0.1647 0.4246
Onchocerca volvulus Protein ultraspiracle homolog 0.0092 0.1647 0.4246
Loa Loa (eye worm) hypothetical protein 0.0092 0.1647 0.4246
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0092 0.1647 0.4246
Trichomonas vaginalis conserved hypothetical protein 0.0339 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0092 0.1647 0.4246
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0092 0.1647 0.4246
Trichomonas vaginalis conserved hypothetical protein 0.0339 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0092 0.1647 0.4246
Schistosoma mansoni RAR-like nuclear receptor 0.0092 0.1647 0.4246
Brugia malayi steroid hormone receptor 0.0092 0.1647 0.4246
Onchocerca volvulus 0.0092 0.1647 0.4246
Echinococcus multilocularis prolyl endopeptidase 0.0158 0.388 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0049 0.0176 0.0455
Brugia malayi nuclear receptor NHR-88 0.0092 0.1647 0.4246
Brugia malayi ecdysteroid receptor 0.0092 0.1647 0.4246
Schistosoma mansoni coup transcription factor 0.0092 0.1647 0.4246
Trichomonas vaginalis conserved hypothetical protein 0.0339 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0092 0.1647 0.4246
Toxoplasma gondii prolyl endopeptidase 0.0158 0.388 0.5
Echinococcus granulosus FTZ F1 alpha 0.0092 0.1647 0.4246
Onchocerca volvulus Prolyl endopeptidase homolog 0.0158 0.388 1
Trypanosoma cruzi prolyl endopeptidase 0.0158 0.388 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0092 0.1647 0.4246
Echinococcus granulosus ecdysone induced protein 78C 0.0092 0.1647 0.4246
Loa Loa (eye worm) hypothetical protein 0.0049 0.0176 0.0455
Schistosoma mansoni steroid hormone receptor ad4bp 0.0092 0.1647 0.4246
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0092 0.1647 0.4246
Brugia malayi Nuclear hormone receptor-like 1 0.0049 0.0176 0.0455
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0092 0.1647 0.4246
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0339 1 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.1647 0.4246
Trichomonas vaginalis conserved hypothetical protein 0.0339 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0049 0.0176 0.0455
Brugia malayi nuclear receptor RXR 0.0049 0.0176 0.0455
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0092 0.1647 0.4246
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0063 0.0657 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0176 0.0455
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0092 0.1647 0.4246
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0092 0.1647 0.4246
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0158 0.388 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0176 0.0455
Schistosoma mansoni retinoic acid receptor RXR 0.0092 0.1647 0.4246
Trichomonas vaginalis conserved hypothetical protein 0.0339 1 1
Echinococcus granulosus prolyl endopeptidase 0.0158 0.388 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.1647 0.4246
Brugia malayi hypothetical protein 0.0049 0.0176 0.0455
Brugia malayi hypothetical protein 0.0049 0.0176 0.0455
Schistosoma mansoni thyroid hormone receptor 0.0092 0.1647 0.4246
Trypanosoma brucei prolyl endopeptidase 0.0158 0.388 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0092 0.1647 0.4246
Entamoeba histolytica modulator of drug activity B homolog, putative 0.0085 0.1395 0.5
Loa Loa (eye worm) hypothetical protein 0.0092 0.1647 0.4246
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0092 0.1647 0.4246
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0092 0.1647 0.4246
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0158 0.388 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0092 0.1647 0.4246
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0092 0.1647 0.4246
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0092 0.1647 0.4246
Echinococcus multilocularis FTZ F1 alpha 0.0092 0.1647 0.4246
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0049 0.0176 0.0455
Schistosoma mansoni thyroid hormone receptor 0.0092 0.1647 0.4246
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0092 0.1647 0.4246
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0092 0.1647 0.4246
Trichomonas vaginalis conserved hypothetical protein 0.0339 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0339 1 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0339 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0092 0.1647 0.4246
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0092 0.1647 0.4246
Trichomonas vaginalis conserved hypothetical protein 0.0339 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0092 0.1647 0.4246
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0092 0.1647 0.4246
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0092 0.1647 0.4246
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0142 0.3319 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0092 0.1647 0.4246
Giardia lamblia NADPH oxidoreductase, putative 0.0339 1 0.5
Brugia malayi nuclear hormone receptor 0.0092 0.1647 0.4246
Entamoeba histolytica iron-sulfur flavoprotein, putative 0.0085 0.1395 0.5
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0158 0.388 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0092 0.1647 0.4246
Trichomonas vaginalis conserved hypothetical protein 0.0339 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0092 0.1647 0.4246
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0092 0.1647 0.4246
Brugia malayi Nuclear hormone receptor-like 1 0.0049 0.0176 0.0455
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0092 0.1647 0.4246
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0092 0.1647 0.4246
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0092 0.1647 0.4246
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0092 0.1647 0.4246
Onchocerca volvulus Bile acid receptor homolog 0.0092 0.1647 0.4246
Echinococcus multilocularis ecdysone induced protein 78C 0.0092 0.1647 0.4246
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0092 0.1647 0.4246
Brugia malayi prolyl oligopeptidase family protein 0.0158 0.388 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.1647 0.4246
Loa Loa (eye worm) hypothetical protein 0.0092 0.1647 0.4246
Loa Loa (eye worm) hypothetical protein 0.0049 0.0176 0.0455
Trichomonas vaginalis conserved hypothetical protein 0.0339 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0092 0.1647 0.4246
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0092 0.1647 0.4246
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0049 0.0176 0.0455
Brugia malayi photoreceptor-specific nuclear receptor 0.0092 0.1647 0.4246
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0092 0.1647 0.4246
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0092 0.1647 0.4246
Loa Loa (eye worm) hypothetical protein 0.0049 0.0176 0.0455
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0339 1 1
Entamoeba histolytica hypothetical protein 0.0085 0.1395 0.5
Giardia lamblia NADPH oxidoreductase, putative 0.0339 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0092 0.1647 0.4246
Trichomonas vaginalis conserved hypothetical protein 0.0339 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0339 1 1
Loa Loa (eye worm) hypothetical protein 0.0158 0.388 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0092 0.1647 0.4246
Loa Loa (eye worm) steroid hormone receptor 0.0092 0.1647 0.4246
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0063 0.0657 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 78 nM In vitro inhibitory activity against porcine prolyl oligopeptidase by using 4 mM Suc-Gly-Pro-7-amido-4-methylcoumarin as substrate (pH 7.0) at 30 degree C for 60 min ChEMBL. 16033257
IC50 (binding) = 78 nM In vitro inhibitory activity against porcine prolyl oligopeptidase by using 4 mM Suc-Gly-Pro-7-amido-4-methylcoumarin as substrate (pH 7.0) at 30 degree C for 60 min ChEMBL. 16033257

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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