Detailed information for compound 329744

Basic information

Technical information
  • TDR Targets ID: 329744
  • Name: [(2S)-1-[4-[(2S)-2-(pyrrolidine-1-carbonyl)py rrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl] -pyrrolidin-1-ylmethanone
  • MW: 466.573 | Formula: C26H34N4O4
  • H donors: 0 H acceptors: 4 LogP: 1.92 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@@H]1CCCN1C(=O)c1ccc(cc1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1
  • InChi: 1S/C26H34N4O4/c31-23(29-17-5-7-21(29)25(33)27-13-1-2-14-27)19-9-11-20(12-10-19)24(32)30-18-6-8-22(30)26(34)28-15-3-4-16-28/h9-12,21-22H,1-8,13-18H2/t21-,22-/m0/s1
  • InChiKey: YVVDWZDGEIWMOE-VXKWHMMOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(2S)-1-[4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-pyrrolidin-1-yl-methanone
  • [(2S)-1-[oxo-[4-[oxo-[(2S)-2-[oxo(1-pyrrolidinyl)methyl]-1-pyrrolidinyl]methyl]phenyl]methyl]-2-pyrrolidinyl]-(1-pyrrolidinyl)methanone
  • pyrrolidin-1-yl-[(2S)-1-[4-[(2S)-2-pyrrolidin-1-ylcarbonylpyrrolidin-1-yl]carbonylphenyl]carbonylpyrrolidin-2-yl]methanone
  • [(2S)-1-[4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidin-2-yl]-pyrrolidino-methanone
  • [(2S)-1-[oxo-[4-[oxo-[(2S)-2-(oxo-1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl]phenyl]methyl]-2-pyrrolidinyl]-1-pyrrolidinylmethanone

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
Trypanosoma cruzi prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Trypanosoma brucei prolyl endopeptidase 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
Schistosoma mansoni prolyl oligopeptidase (S09 family) 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
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 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
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
Toxoplasma gondii prolyl endopeptidase 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 ko:K01322 prolyl oligopeptidase [EC3.4.21.26], putative 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
Loa Loa (eye worm) hypothetical protein 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
Trypanosoma congolense prolyl endopeptidase 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 brucei gambiense prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 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
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 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 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 %
Dictyostelium discoideum oligopeptidase B Prolyl endopeptidase   710 aa 735 aa 23.7 %
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 brucei oligopeptidase b Prolyl endopeptidase   710 aa 630 aa 26.3 %
Leishmania donovani oligopeptidase b Prolyl endopeptidase   710 aa 743 aa 24.4 %
Leishmania major oligopeptidase b Prolyl endopeptidase   710 aa 743 aa 24.9 %
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB Prolyl endopeptidase   710 aa 714 aa 26.5 %
Leishmania braziliensis oligopeptidase b;with=GeneDB:LmjF09.0770 Prolyl endopeptidase   710 aa 608 aa 26.0 %
Leishmania infantum oligopeptidase b;with=GeneDB:LmjF09.0770 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 %
Onchocerca volvulus Prolyl endopeptidase   710 aa 722 aa 47.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi prolyl endopeptidase 0.0158 0.4535 0.4535
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain) 0.032 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0158 0.4535 0.3357
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0158 0.4535 0.3357
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit beta 0.032 1 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0076 0.1773 0.0421
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (BETA CHAIN) NRDF (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R2F PROTEIN) 0.0109 0.2862 1
Toxoplasma gondii prolyl endopeptidase 0.0158 0.4535 0.3357
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0063 0.1323 0.1323
Trypanosoma brucei prolyl oligopeptidase, putative 0.0063 0.1323 0.1323
Loa Loa (eye worm) hypothetical protein 0.0158 0.4535 0.3357
Trypanosoma brucei prolyl endopeptidase 0.0158 0.4535 0.4535
Toxoplasma gondii ribonucleoside-diphosphate reductase small subunit 0.032 1 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0076 0.1773 0.0421
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0063 0.1323 0.1323
Echinococcus multilocularis ribonucleoside diphosphate reductase subunit 0.032 1 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.0158 0.4535 0.5
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0158 0.4535 0.4535
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0109 0.2862 0.2862
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.032 1 1
Leishmania major oligopeptidase b 0.0063 0.1323 0.1323
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.1773 1
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.032 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0158 0.4535 0.3357
Echinococcus multilocularis prolyl endopeptidase 0.0158 0.4535 0.3637
Trypanosoma cruzi oligopeptidase b 0.0063 0.1323 0.1323
Plasmodium vivax ribonucleoside-diphosphate reductase small chain, putative 0.032 1 1
Trypanosoma brucei oligopeptidase b 0.0063 0.1323 0.1323
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0076 0.1773 0.0421
Loa Loa (eye worm) ribonucleotide reductase M2 B 0.032 1 1
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.032 1 1
Treponema pallidum ribonucleotide-diphosphate reductase subunit beta 0.032 1 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0076 0.1773 0.0421
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.032 1 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0076 0.1773 0.0421
Trypanosoma cruzi oligopeptidase b 0.0063 0.1323 0.1323
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0076 0.1773 0.0421
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0063 0.1323 0.1323
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein) 0.032 1 1
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit beta 0.0109 0.2862 1
Schistosoma mansoni ribonucleoside-diphosphate reductase small chain 0.032 1 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0076 0.1773 0.0421
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain, putative 0.032 1 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0076 0.1773 0.0421
Plasmodium vivax ribonucleotide reductase small subunit, putative 0.0109 0.2862 0.1323
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0142 0.3976 0.3057
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0063 0.1323 0.1323
Echinococcus granulosus prolyl endopeptidase 0.0158 0.4535 0.3637
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.032 1 1
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0109 0.2862 0.1323
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit beta 0.032 1 0.5
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.032 1 1
Echinococcus granulosus ribonucleoside diphosphate reductase subunit 0.032 1 1
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.032 1 1
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.032 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 81 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) = 81 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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