Detailed information for compound 27729

Basic information

Technical information
  • TDR Targets ID: 27729
  • Name: benzyl 4-[4-(dimethoxymethyl)-1,3-thiazolidin e-3-carbonyl]-1,3-thiazolidine-3-carboxylate
  • MW: 412.524 | Formula: C18H24N2O5S2
  • H donors: 0 H acceptors: 2 LogP: 2.16 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(C1CSCN1C(=O)C1CSCN1C(=O)OCc1ccccc1)OC
  • InChi: 1S/C18H24N2O5S2/c1-23-17(24-2)15-10-27-11-19(15)16(21)14-9-26-12-20(14)18(22)25-8-13-6-4-3-5-7-13/h3-7,14-15,17H,8-12H2,1-2H3
  • InChiKey: LESSYCUNWACSLT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • benzyl 4-[4-(dimethoxymethyl)thiazolidine-3-carbonyl]thiazolidine-3-carboxylate
  • 4-[[4-(dimethoxymethyl)-3-thiazolidinyl]-oxomethyl]-3-thiazolidinecarboxylic acid benzyl ester
  • phenylmethyl 4-[[4-(dimethoxymethyl)-1,3-thiazolidin-3-yl]carbonyl]-1,3-thiazolidine-3-carboxylate
  • 4-[4-(dimethoxymethyl)thiazolidine-3-carbonyl]thiazolidine-3-carboxylic acid benzyl ester
  • phenylmethyl 4-[4-(dimethoxymethyl)1,3-thiazolidine-3-carbonyl]-1,3-thiazolidine-3-carboxylate
  • phenylmethyl 4-[4-(dimethoxymethyl)thiazolidine-3-carbonyl]thiazolidine-3-carboxylate
  • 4-[[4-(dimethoxymethyl)-3-thiazolidinyl]-oxomethyl]-3-thiazolidinecarboxylic acid phenylmethyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens prolyl endopeptidase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense 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
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
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
Echinococcus multilocularis prolyl endopeptidase 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
Schistosoma japonicum ko:K01322 prolyl oligopeptidase [EC3.4.21.26], 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
Leishmania donovani 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
Trypanosoma cruzi prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Echinococcus granulosus 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
Toxoplasma gondii 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
Neospora caninum Prolyl oligopeptidase (EC 3.4.21.26) (Precursor), related 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei oligopeptidase b prolyl endopeptidase 710 aa 630 aa 27.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.023 0.9696 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0016 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0016 0.0196 0.0196
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0017 0.0238 0.0044
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0017 0.0238 0.0044
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0017 0.0238 0.0067
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0158 0.6499 0.6635
Loa Loa (eye worm) hypothetical protein 0.0016 0.0196 0.0196
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0196 0.0196
Leishmania major oligopeptidase b 0.0063 0.2286 0.3271
Onchocerca volvulus Prolyl endopeptidase homolog 0.0158 0.6499 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0017 0.0238 0.5
Echinococcus multilocularis acylamino acid releasing enzyme 0.0017 0.0238 0.0044
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0063 0.2286 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0196 0.0196
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0017 0.0238 0.0044
Brugia malayi prolyl oligopeptidase family protein 0.0017 0.0238 0.0238
Loa Loa (eye worm) hypothetical protein 0.0016 0.0196 0.0196
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0196 0.0196
Trypanosoma brucei prolyl oligopeptidase, putative 0.0063 0.2286 0.3271
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0196 0.0196
Trypanosoma cruzi oligopeptidase b 0.0063 0.2286 0.3271
Loa Loa (eye worm) prolyl oligopeptidase 0.0017 0.0238 0.0238
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0063 0.2286 0.3271
Echinococcus granulosus acylamino acid releasing enzyme 0.0017 0.0238 0.0044
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0017 0.0238 0.5
Loa Loa (eye worm) TK protein kinase 0.0237 1 1
Schistosoma mansoni tyrosine kinase 0.0018 0.0304 0.0114
Brugia malayi Prion-like- 0.0016 0.0196 0.0196
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0017 0.0238 0.0044
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0016 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0017 0.0238 0.0238
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0158 0.6499 0.6635
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0063 0.2286 0.3271
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0196 0.0196
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0016 0.0196 0.0196
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0017 0.0238 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0.0238 0.5
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0017 0.0238 0.0044
Loa Loa (eye worm) hypothetical protein 0.0016 0.0196 0.0196
Toxoplasma gondii prolyl endopeptidase 0.0158 0.6499 1
Brugia malayi Peroxidasin 0.0016 0.0196 0.0196
Plasmodium vivax hypothetical protein, conserved 0.0017 0.0238 0.5
Echinococcus multilocularis prolyl endopeptidase 0.0158 0.6499 0.6635
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.023 0.9696 1
Echinococcus granulosus fibroblast growth factor receptor 4 0.023 0.9696 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0017 0.0238 0.0044
Echinococcus granulosus prolyl endopeptidase 0.0158 0.6499 0.6635
Trypanosoma brucei oligopeptidase b 0.0063 0.2286 0.3271
Brugia malayi prolyl oligopeptidase family protein 0.0017 0.0238 0.0238
Loa Loa (eye worm) hypothetical protein 0.0158 0.6499 0.6499
Trypanosoma brucei prolyl endopeptidase 0.0158 0.6499 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0196 0.0196
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0017 0.0238 0.0044
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0017 0.0238 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0238 0.5
Echinococcus multilocularis fibroblast growth factor receptor 4 0.023 0.9696 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0016 0.0196 0.0196
Schistosoma mansoni tyrosine kinase 0.023 0.9696 1
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0063 0.2286 0.3271
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0.0238 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0238 0.0238
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0016 0.0196 0.0196
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0196 0.0196
Echinococcus granulosus Dipeptidyl peptidase 9 0.0017 0.0238 0.0044
Giardia lamblia Alanyl dipeptidyl peptidase 0.0017 0.0238 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0016 0.0196 0.0196
Entamoeba histolytica hypothetical protein, conserved 0.0017 0.0238 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0196 0.0196
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0063 0.2286 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.0017 0.0238 0.0238
Loa Loa (eye worm) hypothetical protein 0.0016 0.0196 0.0196
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0142 0.5766 1
Trypanosoma cruzi prolyl endopeptidase 0.0158 0.6499 1
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0063 0.2286 0.3271
Brugia malayi prolyl oligopeptidase family protein 0.0017 0.0238 0.0238
Brugia malayi prolyl oligopeptidase family protein 0.0017 0.0238 0.0238
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0158 0.6499 1
Trypanosoma cruzi oligopeptidase b 0.0063 0.2286 0.3271
Brugia malayi prolyl oligopeptidase family protein 0.0158 0.6499 0.6499
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0196 0.0196
Plasmodium falciparum peptidase, putative 0.0017 0.0238 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0.0238 0.5
Giardia lamblia Alanyl dipeptidyl peptidase 0.0017 0.0238 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0196 0.0196

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2600 nM Compound was evaluated for the inhibition of prolyl endopeptidase (PEP) purified from human peripheral blood mononuclear cells ChEMBL. No reference
IC50 (binding) = 2600 nM Compound was evaluated for the inhibition of prolyl endopeptidase (PEP) purified from human peripheral blood mononuclear cells 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

Bibliographic References

No literature references available for this target.

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