Detailed information for compound 1507636

Basic information

Technical information
  • TDR Targets ID: 1507636
  • Name: ethyl 2-[[4-(1,3-dithiolan-2-yl)phenoxy]methy l]-1,3-thiazole-4-carboxylate
  • MW: 367.506 | Formula: C16H17NO3S3
  • H donors: 0 H acceptors: 2 LogP: 4.01 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1csc(n1)COc1ccc(cc1)C1SCCS1
  • InChi: 1S/C16H17NO3S3/c1-2-19-15(18)13-10-23-14(17-13)9-20-12-5-3-11(4-6-12)16-21-7-8-22-16/h3-6,10,16H,2,7-9H2,1H3
  • InChiKey: GMOWZTGIUWXBSA-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl 2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]thiazole-4-carboxylate
  • 2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-thiazolecarboxylic acid ethyl ester
  • 2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]thiazole-4-carboxylic acid ethyl ester
  • Maybridge3_007045
  • IDI1_018432
  • ZINC01047464

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma cruzi cyclic nucleotide phosphodiesterase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_154436 All targets in OG5_154436
Trypanosoma congolense 3', 5'-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_154436 All targets in OG5_154436
Trypanosoma cruzi cyclic nucleotide phosphodiesterase Get druggable targets OG5_154436 All targets in OG5_154436
Trypanosoma brucei gambiense 3, 5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_154436 All targets in OG5_154436
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_154436 All targets in OG5_154436
Leishmania donovani hypothetical protein, conserved Get druggable targets OG5_154436 All targets in OG5_154436
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_154436 All targets in OG5_154436
Leishmania major hypothetical protein, conserved Get druggable targets OG5_154436 All targets in OG5_154436
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_154436 All targets in OG5_154436

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0329 0.2139 0.2139
Brugia malayi Immunoglobulin I-set domain containing protein 0.0316 0.1794 0.2899
Echinococcus granulosus roundabout 2 0.0391 0.3812 0.3812
Brugia malayi Immunoglobulin I-set domain containing protein 0.0391 0.3812 0.6159
Schistosoma mansoni hypothetical protein 0.0316 0.1794 0.2186
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0324 0.2017 0.326
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0316 0.1794 0.2899
Schistosoma mansoni cell adhesion molecule 0.0316 0.1794 0.2186
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0391 0.3812 0.4645
Echinococcus granulosus twitchin 0.0297 0.1289 0.1289
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0385 0.3651 0.5899
Brugia malayi Immunoglobulin I-set domain containing protein 0.0316 0.1794 0.2899
Brugia malayi protein unc-22 0.0316 0.1794 0.2899
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0391 0.3812 0.3812
Onchocerca volvulus 0.0316 0.1794 1
Loa Loa (eye worm) projectin 0.0316 0.1794 0.2899
Brugia malayi Immunoglobulin I-set domain containing protein 0.0391 0.3812 0.6159
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0391 0.3812 0.6159
Echinococcus multilocularis titin 0.0316 0.1794 0.1794
Echinococcus multilocularis roundabout 2 0.0391 0.3812 0.3812
Brugia malayi Immunoglobulin I-set domain containing protein 0.0316 0.1794 0.2899
Brugia malayi Immunoglobulin I-set domain containing protein 0.0316 0.1794 0.2899
Loa Loa (eye worm) hypothetical protein 0.048 0.6188 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0385 0.3651 0.5899
Brugia malayi Immunoglobulin I-set domain containing protein 0.0316 0.1794 0.2899
Echinococcus granulosus contactin 0.0391 0.3812 0.3812
Echinococcus granulosus roundabout 2 0.0391 0.3812 0.3812
Brugia malayi Immunoglobulin I-set domain containing protein 0.0324 0.2017 0.326
Schistosoma mansoni cell adhesion molecule 0.0316 0.1794 0.2186
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0316 0.1794 0.1794
Echinococcus granulosus nephrin 0.0316 0.1794 0.1794
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0329 0.2139 0.2139
Echinococcus multilocularis transfer RNA-Phe 0.0316 0.1794 0.1794
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0391 0.3812 0.3812
Loa Loa (eye worm) hypothetical protein 0.0391 0.3812 0.6159
Loa Loa (eye worm) hypothetical protein 0.048 0.6188 1
Echinococcus multilocularis neuroglian 0.0297 0.1289 0.1289
Echinococcus multilocularis neuroglian 0.0391 0.3812 0.3812
Echinococcus granulosus neuroglian 0.0297 0.1289 0.1289
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0324 0.2017 0.2017
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0391 0.3812 0.3812
Brugia malayi Immunoglobulin I-set domain containing protein 0.0316 0.1794 0.2899
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0273 0.0638 1
Brugia malayi hypothetical protein 0.048 0.6188 1
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0324 0.2017 0.2017
Onchocerca volvulus 0.0316 0.1794 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0391 0.3812 0.3812
Schistosoma mansoni titin 0.0316 0.1794 0.2186
Brugia malayi Immunoglobulin I-set domain containing protein 0.0391 0.3812 0.6159
Schistosoma mansoni cell adhesion molecule 0.0391 0.3812 0.4645
Schistosoma mansoni serine/threonine protein kinase 0.0316 0.1794 0.2186
Loa Loa (eye worm) hypothetical protein 0.0316 0.1794 0.2899
Schistosoma mansoni hemicentin 0.0316 0.1794 0.2186
Schistosoma mansoni nephrin 0.0391 0.3812 0.4645
Schistosoma mansoni neuroglian 0.0391 0.3812 0.4645
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0391 0.3812 0.3812
Schistosoma mansoni titin 0.0316 0.1794 0.2186
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0316 0.1794 0.2899
Loa Loa (eye worm) hypothetical protein 0.0372 0.3306 0.5342
Echinococcus granulosus neuroglian 0.0391 0.3812 0.3812
Leishmania major hypothetical protein, conserved 0.0273 0.0638 1
Onchocerca volvulus 0.0316 0.1794 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.048 0.6188 1
Echinococcus multilocularis roundabout 2 0.0391 0.3812 0.3812
Loa Loa (eye worm) hypothetical protein 0.048 0.6188 1
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0273 0.0638 1
Schistosoma mansoni nephrin 0.0546 0.7983 0.9728
Loa Loa (eye worm) hypothetical protein 0.0316 0.1794 0.2899
Loa Loa (eye worm) CAMK protein kinase 0.0316 0.1794 0.2899
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0316 0.1794 0.2899
Schistosoma mansoni ephrin receptor 0.0329 0.2139 0.2606
Brugia malayi Fibronectin type III domain containing protein 0.048 0.6188 1
Echinococcus granulosus titin 0.0316 0.1794 0.1794
Schistosoma mansoni cell adhesion molecule 0.0555 0.8206 1
Echinococcus granulosus titin 0.0316 0.1794 0.1794
Brugia malayi Immunoglobulin I-set domain containing protein 0.0316 0.1794 0.2899
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0306 0.1512 0.1512
Schistosoma mansoni myosin-binding protein-related 0.0316 0.1794 0.2186
Loa Loa (eye worm) hypothetical protein 0.0372 0.3306 0.5342
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0391 0.3812 0.6159
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0316 0.1794 0.2899
Schistosoma mansoni cell adhesion molecule 0.0391 0.3812 0.4645
Loa Loa (eye worm) hypothetical protein 0.0306 0.1512 0.2443

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10 uM Inhibition of Trypanosoma cruzi Y PDEC after 30 mins ChEMBL. 20625148

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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