Detailed information for compound 67628

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 256.364 | Formula: C12H20N2O2S
  • H donors: 0 H acceptors: 2 LogP: 1.12 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
  • InChi: 1S/C12H20N2O2S/c1-2-5-11(15)14-9-17-8-10(14)12(16)13-6-3-4-7-13/h10H,2-9H2,1H3/t10-/m0/s1
  • InChiKey: GGUAKDAGLDNBAS-JTQLQIEISA-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
Rattus norvegicus Prolyl endopeptidase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Neospora caninum Prolyl oligopeptidase (EC 3.4.21.26) (Precursor), related 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
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 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
Schistosoma mansoni prolyl oligopeptidase (S09 family) 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 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
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

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 600 aa 25.7 %
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) Prolyl endopeptidase   710 aa 735 aa 25.6 %
Leishmania donovani oligopeptidase b Prolyl endopeptidase   710 aa 720 aa 25.1 %
Trypanosoma brucei gambiense oligopeptidase B, putative Prolyl endopeptidase   710 aa 626 aa 27.2 %
Trypanosoma congolense oligopeptidase b Prolyl endopeptidase   710 aa 588 aa 27.6 %
Trypanosoma brucei oligopeptidase b Prolyl endopeptidase   710 aa 626 aa 27.2 %
Trypanosoma cruzi oligopeptidase b Prolyl endopeptidase   710 aa 719 aa 25.7 %
Leishmania infantum oligopeptidase b;with=GeneDB:LmjF09.0770 Prolyl endopeptidase   710 aa 720 aa 25.1 %
Trypanosoma cruzi oligopeptidase b Prolyl endopeptidase   710 aa 719 aa 25.7 %
Dictyostelium discoideum oligopeptidase B Prolyl endopeptidase   710 aa 716 aa 23.3 %
Leishmania mexicana oligopeptidase b,serine peptidase, clan SC, family S9A-like protein Prolyl endopeptidase   710 aa 723 aa 24.6 %
Onchocerca volvulus Prolyl endopeptidase   710 aa 724 aa 46.7 %
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB Prolyl endopeptidase   710 aa 713 aa 26.4 %
Leishmania major oligopeptidase b Prolyl endopeptidase   710 aa 718 aa 25.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi histone deacetylase, putative 0.0227 1 1
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0063 0.0295 0.0295
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.008 0.1314 1
Echinococcus granulosus histone deacetylase 0.0227 1 1
Echinococcus granulosus histone deacetylase 6 0.0227 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0133 0.4471 0.4471
Brugia malayi Histone deacetylase family protein 0.0227 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0227 1 1
Trypanosoma cruzi oligopeptidase b 0.0063 0.0295 0.0295
Loa Loa (eye worm) histone deacetylase 7A 0.0227 1 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.0158 0.5935 1
Echinococcus granulosus prolyl endopeptidase 0.0158 0.5935 0.2462
Loa Loa (eye worm) hypothetical protein 0.0227 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0133 0.4471 0.4471
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0133 0.4471 0.4471
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0063 0.0295 0.0295
Giardia lamblia Hypothetical protein 0.008 0.1314 0.5
Loa Loa (eye worm) hypothetical protein 0.0133 0.4471 0.3733
Echinococcus multilocularis histone deacetylase 0.0227 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0158 0.5935 0.2462
Echinococcus multilocularis histone deacetylase 7 0.0227 1 1
Leishmania major oligopeptidase b 0.0063 0.0295 0.0295
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0136 0.4607 0.4607
Plasmodium vivax histone deacetylase 2, putative 0.0227 1 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.0133 0.4471 0.4471
Echinococcus multilocularis histone deacetylase 6 0.0227 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0227 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.4607 0.3886
Trypanosoma brucei histone deacetylase, putative 0.0227 1 1
Leishmania major histone deacetylase, putative 0.0227 1 1
Plasmodium falciparum histone deacetylase 2 0.0227 1 0.5
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0063 0.0295 0.5
Loa Loa (eye worm) hypothetical protein 0.0158 0.5935 0.5392
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0136 0.4607 0.4607
Echinococcus granulosus histone deacetylase 6 0.0227 1 1
Trypanosoma cruzi oligopeptidase b 0.0063 0.0295 0.0295
Trypanosoma brucei prolyl endopeptidase 0.0158 0.5935 0.5935
Echinococcus multilocularis histone deacetylase 6 0.0227 1 1
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0063 0.0295 0.0295
Trypanosoma brucei histone deacetylase 4 0.0227 1 1
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0063 0.0295 0.0295
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0136 0.4607 0.4607
Echinococcus granulosus histone deacetylase 6 0.0227 1 1
Schistosoma mansoni histone deacetylase hda2 0.0227 1 1
Plasmodium falciparum histone deacetylase, putative 0.0227 1 0.5
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.008 0.1314 0.5
Toxoplasma gondii histone deacetylase HDAC1 0.0227 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0227 1 1
Trypanosoma brucei oligopeptidase b 0.0063 0.0295 0.0295
Trypanosoma brucei prolyl oligopeptidase, putative 0.0063 0.0295 0.0295
Echinococcus multilocularis prolyl endopeptidase 0.0158 0.5935 0.2462
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0142 0.4952 1
Loa Loa (eye worm) histone deacetylase 0.0227 1 1
Trypanosoma cruzi prolyl endopeptidase 0.0158 0.5935 0.5935
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0158 0.5935 0.2462
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0136 0.4607 0.4607
Giardia lamblia Hypothetical protein 0.008 0.1314 0.5
Schistosoma mansoni histone deacetylase 4 5 0.0227 1 1
Echinococcus multilocularis histone deacetylase 6 0.0227 1 1
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0158 0.5935 0.5935
Plasmodium vivax histone deacetylase, putative 0.0227 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0227 1 1
Echinococcus granulosus histone deacetylase 7 0.0227 1 1
Leishmania major histone deacetylase, putative 0.0227 1 1
Mycobacterium ulcerans hypothetical protein 0.008 0.1314 1
Trypanosoma brucei histone deacetylase 3 0.0227 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 167 nM Inhibitory activity against rat brain Prolyl endopeptidase (PEP) ChEMBL. No reference
IC50 (binding) = 167 nM Inhibitory activity against rat brain Prolyl endopeptidase (PEP) 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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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