Detailed information for compound 17543

Basic information

Technical information
  • TDR Targets ID: 17543
  • Name: N-[[3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxaz olidin-5-yl]methyl]acetamide
  • MW: 280.343 | Formula: C13H16N2O3S
  • H donors: 1 H acceptors: 2 LogP: 1.35 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ccc(cc1)N1CC(OC1=O)CNC(=O)C
  • InChi: 1S/C13H16N2O3S/c1-9(16)14-7-11-8-15(13(17)18-11)10-3-5-12(19-2)6-4-10/h3-6,11H,7-8H2,1-2H3,(H,14,16)
  • InChiKey: ZDNUAEUKCFIECT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[3-(4-methylsulfanylphenyl)-2-oxo-oxazolidin-5-yl]methyl]acetamide
  • N-[[3-[4-(methylthio)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
  • N-[[3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanamide
  • N-[[2-keto-3-[4-(methylthio)phenyl]oxazolidin-5-yl]methyl]acetamide

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
Echinococcus multilocularis protein dispatched 1 0.1082 0.3969 0.3965
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0034 0.0016
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0034 0.5
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.2628 1 1
Echinococcus multilocularis protein patched 0.1082 0.3969 0.3965
Loa Loa (eye worm) hypothetical protein 0.2628 1 1
Echinococcus granulosus sterol regulatory element binding protein 0.1082 0.3969 0.3965
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0034 0.0016
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.2628 1 1
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.2628 1 0.5
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1233 0.4558 1
Schistosoma mansoni patched 1 0.1082 0.3969 0.3965
Echinococcus granulosus Niemann Pick C1 protein 0.1082 0.3969 0.3965
Loa Loa (eye worm) hypothetical protein 0.0196 0.0514 0.0514
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.1233 0.4558 0.5
Loa Loa (eye worm) hypoxia-induced factor 1 0.0181 0.0455 0.0455
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.2628 1 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.1082 0.3969 0.3965
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.2628 1 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0034 0.0026
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.2628 1 1
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.2628 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0034 0.0026
Loa Loa (eye worm) hypothetical protein 0.1082 0.3969 0.3969
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0018 0.001
Echinococcus granulosus Protein patched homolog 1 0.1082 0.3969 0.3965
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0018 0.001
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0034 1
Echinococcus multilocularis sterol regulatory element binding protein 0.1082 0.3969 0.3965
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1233 0.4558 1
Brugia malayi hypoxia-induced factor 1 0.0181 0.0455 0.0437
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0034 0.0016
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0034 0.0026
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0018 0.001
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0034 0.0016
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1233 0.4558 1
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.2628 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0034 0.0026
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.1082 0.3969 0.3969
Schistosoma mansoni niemann-pick C1 (NPC1) 0.1082 0.3969 0.3965
Brugia malayi CHE-14 protein 0.1082 0.3969 0.3958
Brugia malayi hypothetical protein 0.0196 0.0514 0.0497

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 4 ug ml-1 Antibacterial activity against Staphylococcus aureus SFCO-1a cell line. ChEMBL. 1552508
MIC (functional) = 4 ug ml-1 Antibacterial activity against Enterococcus faecalis STCO-19 ChEMBL. 1552508
MIC (functional) = 4 ug ml-1 In vitro minimum inhibitory concentration against Staphylococcus aureus (SFCO-1a) ChEMBL. 2502627
MIC (functional) = 4 ug ml-1 In vitro minimum inhibitory concentration against Enterococcus faecalis (STCO-19) ChEMBL. 2502627

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

2 literature references were collected for this gene.

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