Detailed information for compound 224396

Basic information

Technical information
  • TDR Targets ID: 224396
  • Name: 5-[[4-[3-[1,3-benzoxazol-2-yl(methyl)amino]-2 -hydroxypropoxy]phenyl]methyl]-1,3-thiazolidi ne-2,4-dione
  • MW: 427.474 | Formula: C21H21N3O5S
  • H donors: 2 H acceptors: 4 LogP: 3.41 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC(CN(c1nc2c(o1)cccc2)C)O
  • InChi: 1S/C21H21N3O5S/c1-24(20-22-16-4-2-3-5-17(16)29-20)11-14(25)12-28-15-8-6-13(7-9-15)10-18-19(26)23-21(27)30-18/h2-9,14,18,25H,10-12H2,1H3,(H,23,26,27)
  • InChiKey: RYKNFTVIRIANLP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[[4-[3-[1,3-benzoxazol-2-yl(methyl)amino]-2-hydroxy-propoxy]phenyl]methyl]thiazolidine-2,4-dione
  • 5-[[4-[3-[1,3-benzoxazol-2-yl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]thiazolidine-2,4-dione
  • 5-[[4-[3-[1,3-benzoxazol-2-yl(methyl)amino]-2-hydroxy-propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
  • 5-[4-[3-[1,3-benzoxazol-2-yl(methyl)amino]-2-hydroxy-propoxy]benzyl]thiazolidine-2,4-quinone
  • 5-[[4-[3-(1,3-benzoxazol-2-yl-methylamino)-2-hydroxypropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
  • 5-[[4-[3-(1,3-benzoxazol-2-yl-methyl-amino)-2-hydroxy-propoxy]phenyl]methyl]thiazolidine-2,4-dione
  • 5-[[4-[3-(1,3-benzoxazol-2-yl-methylamino)-2-hydroxypropoxy]phenyl]methyl]thiazolidine-2,4-dione
  • 5-[4-[3-(1,3-benzoxazol-2-yl-methyl-amino)-2-hydroxy-propoxy]benzyl]thiazolidine-2,4-quinone
  • 5-[[4-[3-(1,3-benzoxazol-2-yl-methyl-amino)-2-hydroxy-propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Leishmania major polypeptide deformylase-like protein, putative 0.1593 0.3792 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0036 0.7924
Plasmodium vivax SET domain protein, putative 0.0031 0.0036 0.0028
Loa Loa (eye worm) hypothetical protein 0.0035 0.0045 0.0937
Toxoplasma gondii hypothetical protein 0.4176 1 1
Trichomonas vaginalis set domain proteins, putative 0.0246 0.0553 1
Brugia malayi Pre-SET motif family protein 0.0031 0.0036 0.0743
Trypanosoma cruzi Peptide deformylase 2, putative 0.1593 0.3792 1
Schistosoma mansoni hypothetical protein 0.0035 0.0045 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0036 0.7924
Trypanosoma brucei Polypeptide deformylase 1 0.1593 0.3792 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0007 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0216 0.0481 1
Schistosoma mansoni ap endonuclease 0.0019 0.0007 0.1657
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0084 0.1745
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0036 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0036 0.0028
Plasmodium falciparum peptide deformylase 0.4176 1 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0033 0.9232
Loa Loa (eye worm) hypothetical protein 0.0051 0.0084 0.1745
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0007 0.2091
Loa Loa (eye worm) hypothetical protein 0.0031 0.0036 0.0743
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0084 0.1745
Schistosoma mansoni ap endonuclease 0.0019 0.0007 0.1657
Plasmodium vivax peptide deformylase, putative 0.4176 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0007 0.0155
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0045 0.0937
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0036 1
Mycobacterium ulcerans peptide deformylase 0.4176 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0036 0.7924
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0007 0.0155
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0007 0.5
Brugia malayi Pre-SET motif family protein 0.0216 0.0481 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0036 0.7924
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0084 0.1745
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.1593 0.3792 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.1593 0.3792 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.1593 0.3792 1
Trypanosoma brucei Peptide deformylase 2 0.1593 0.3792 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0007 0.2091
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0036 1
Onchocerca volvulus 0.0246 0.0553 1
Treponema pallidum polypeptide deformylase (def) 0.4176 1 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.4176 1 1
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.4176 1 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.4176 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Reduction (functional) NA 0 % Percent reduction in area under glucose tolerance curve (AUC) was determined at 100 micromol/kg dose of diet in mice; IA = No significant activity ChEMBL. 7966158

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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