Detailed information for compound 205649

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 342.432 | Formula: C20H26N2O3
  • H donors: 0 H acceptors: 3 LogP: 2.07 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CC1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
  • InChi: 1S/C20H26N2O3/c23-15-17-10-5-13-21(17)20(25)18-11-6-14-22(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,15,17-18H,4-6,9-14H2/t17?,18-/m0/s1
  • InChiKey: ATHGZTRCNIYYSU-ZVAWYAOSSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus granulosus 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
Leishmania donovani prolyl endopeptidase 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
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
Schistosoma japonicum Prolyl endopeptidase, putative 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
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
Leishmania infantum 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 mexicana prolyl oligopeptidase, putative 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
Schistosoma mansoni prolyl oligopeptidase (S09 family) Get druggable targets OG5_129295 All targets in OG5_129295
Trypanosoma congolense 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
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_129295 All targets in OG5_129295
Echinococcus multilocularis 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 braziliensis oligopeptidase b;with=GeneDB:LmjF09.0770 Prolyl endopeptidase   710 aa 608 aa 26.0 %
Dictyostelium discoideum oligopeptidase B Prolyl endopeptidase   710 aa 735 aa 23.7 %
Trypanosoma congolense oligopeptidase b Prolyl endopeptidase   710 aa 589 aa 27.8 %
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB Prolyl endopeptidase   710 aa 714 aa 26.5 %
Leishmania major oligopeptidase b Prolyl endopeptidase   710 aa 743 aa 24.9 %
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 %
Leishmania infantum oligopeptidase b;with=GeneDB:LmjF09.0770 Prolyl endopeptidase   710 aa 743 aa 24.4 %
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 %
Leishmania mexicana oligopeptidase b,serine peptidase, clan SC, family S9A-like protein Prolyl endopeptidase   710 aa 720 aa 24.7 %
Onchocerca volvulus Prolyl endopeptidase   710 aa 722 aa 47.6 %
Trypanosoma cruzi oligopeptidase b Prolyl endopeptidase   710 aa 719 aa 25.6 %
Trypanosoma brucei oligopeptidase b Prolyl endopeptidase   710 aa 630 aa 26.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi Bromodomain containing protein 0.0031 0.0309 0.0355
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0993 0.2714
Echinococcus granulosus peregrin 0.0031 0.0309 0.0309
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0309 0.0355
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0158 0.8719 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0158 0.8719 0.8719
Loa Loa (eye worm) hypothetical protein 0.0041 0.0993 0.1139
Brugia malayi Heterochromatin protein 1 0.0073 0.3108 0.3564
Loa Loa (eye worm) heterochromatin protein 1 0.0073 0.3108 0.3564
Echinococcus granulosus chromobox protein 1 0.0073 0.3108 0.3108
Brugia malayi chromobox protein homolog 3 0.0041 0.0993 0.1139
Onchocerca volvulus Alhambra homolog 0.0031 0.0309 0.0355
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.1098 0.1098
Schistosoma mansoni hypothetical protein 0.0178 1 1
Schistosoma mansoni hypothetical protein 0.0031 0.0309 0.0309
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0733 0.0733
Schistosoma mansoni jumonji domain containing protein 0.0079 0.3535 0.3535
Loa Loa (eye worm) hypothetical protein 0.0158 0.8719 1
Trichomonas vaginalis chromobox protein, putative 0.0073 0.3108 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0733 0.0733
Loa Loa (eye worm) hypothetical protein 0.0031 0.0309 0.0355
Plasmodium falciparum phd finger protein, putative 0.0031 0.0309 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0993 0.2714
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.2453 0.2814
Trichomonas vaginalis chromobox protein, putative 0.0044 0.1198 0.3419
Echinococcus multilocularis peregrin 0.0031 0.0309 0.0309
Trypanosoma brucei prolyl endopeptidase 0.0158 0.8719 1
Brugia malayi prolyl oligopeptidase family protein 0.0158 0.8719 1
Schistosoma mansoni chromobox protein 0.0073 0.3108 0.3108
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0063 0.2441 0.5
Echinococcus multilocularis chromobox protein 1 0.0073 0.3108 0.3108
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.01 0.4891 0.4891
Onchocerca volvulus 0.0032 0.041 0.0471
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0142 0.7626 1
Echinococcus granulosus prolyl endopeptidase 0.0158 0.8719 0.8719
Giardia lamblia PHD finger protein 15 0.0031 0.0309 0.5
Onchocerca volvulus Prolyl endopeptidase homolog 0.0158 0.8719 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0309 0.0309
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0158 0.8719 0.8719
Schistosoma mansoni hypothetical protein 0.0178 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0733 0.0733
Echinococcus multilocularis geminin 0.0178 1 1
Trichomonas vaginalis chromobox protein, putative 0.0073 0.3108 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.1198 0.1374
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0063 0.2441 0.5
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0309 0.0309
Echinococcus granulosus jumonji domain containing protein 0.0043 0.1098 0.1098
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0309 0.0309
Trichomonas vaginalis chromobox protein, putative 0.0044 0.1198 0.3419
Echinococcus multilocularis prolyl endopeptidase 0.0158 0.8719 0.8719
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0733 0.0733
Brugia malayi jmjC domain containing protein 0.01 0.4891 0.5609
Echinococcus multilocularis chromobox protein 1 0.0073 0.3108 0.3108
Trypanosoma cruzi prolyl endopeptidase 0.0158 0.8719 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0733 0.0841
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0993 0.1139
Echinococcus granulosus chromobox protein 1 0.0073 0.3108 0.3108
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0309 0.5
Brugia malayi jmjC domain containing protein 0.0037 0.0733 0.0841
Loa Loa (eye worm) hypothetical protein 0.0052 0.1748 0.2005
Brugia malayi PHD-finger family protein 0.0031 0.0309 0.0355
Schistosoma mansoni chromobox protein 0.0073 0.3108 0.3108
Toxoplasma gondii prolyl endopeptidase 0.0158 0.8719 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.01 0.4891 0.4891
Loa Loa (eye worm) hypothetical protein 0.0032 0.041 0.0471

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8.7 nM In vitro inhibitory activity against prolyl endopeptidase (PEP) ChEMBL. 7932578
IC50 (binding) = 8.7 nM In vitro inhibitory activity against prolyl endopeptidase (PEP) ChEMBL. 7932578

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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