Detailed information for compound 1844223

Basic information

Technical information
  • TDR Targets ID: 1844223
  • Name: (2R,6S)-2,6-di(phenyl)thian-4-one
  • MW: 268.373 | Formula: C17H16OS
  • H donors: 0 H acceptors: 1 LogP: 3.39 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C[C@H](S[C@H](C1)c1ccccc1)c1ccccc1
  • InChi: 1S/C17H16OS/c18-15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2/t16-,17+
  • InChiKey: PPJHHCQGZVIWAR-CALCHBBNSA-N  

Network

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Synonyms

  • (2R,6S)-2,6-di(phenyl)tetrahydrothiopyran-4-one
  • (2R,6S)-2,6-di(phenyl)-4-tetrahydrothiopyranone
  • ZINC00237896
  • ZINC00237892

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
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0177 0.6576 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0127 0.3577 0.544
Echinococcus multilocularis FTZ F1 alpha 0.0127 0.3577 0.544
Schistosoma mansoni thyroid hormone receptor 0.0127 0.3577 0.3577
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0127 0.3577 0.544
Brugia malayi photoreceptor-specific nuclear receptor 0.0127 0.3577 0.544
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0127 0.3577 0.544
Brugia malayi Nuclear hormone receptor-like 1 0.0127 0.3577 0.544
Loa Loa (eye worm) hypothetical protein 0.0127 0.3577 0.544
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0127 0.3577 0.544
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0127 0.3577 0.544
Loa Loa (eye worm) hypothetical protein 0.0127 0.3577 0.544
Schistosoma mansoni serine/threonine protein kinase 0.0177 0.6576 0.6576
Echinococcus multilocularis ecdysone induced protein 78C 0.0127 0.3577 0.544
Echinococcus multilocularis thyroid hormone receptor alpha 0.0127 0.3577 0.544
Schistosoma mansoni nuclear hormone receptor 0.0127 0.3577 0.3577
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0127 0.3577 0.544
Brugia malayi Protein kinase domain containing protein 0.0177 0.6576 1
Schistosoma mansoni retinoic acid receptor RXR 0.0127 0.3577 0.3577
Schistosoma mansoni thyroid hormone receptor 0.0127 0.3577 0.3577
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0177 0.6576 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0127 0.3577 0.544
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0127 0.3577 0.544
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0127 0.3577 0.544
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0127 0.3577 0.544
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0127 0.3577 0.544
Loa Loa (eye worm) steroid hormone receptor 0.0127 0.3577 0.544
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0127 0.3577 0.544
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0127 0.3577 0.544
Echinococcus granulosus ecdysone induced protein 78C 0.0127 0.3577 0.544
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0127 0.3577 0.544
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0127 0.3577 0.544
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0127 0.3577 0.3577
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0177 0.6576 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0127 0.3577 0.3577
Schistosoma mansoni steroid hormone receptor ad4bp 0.0127 0.3577 0.3577
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0127 0.3577 0.544
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0127 0.3577 0.544
Brugia malayi Steroid receptor seven-up type 2 0.0127 0.3577 0.544
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0127 0.3577 0.544
Loa Loa (eye worm) hypothetical protein 0.0127 0.3577 0.544
Brugia malayi steroid hormone receptor 0.0127 0.3577 0.544
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0127 0.3577 0.3577
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0127 0.3577 0.544
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0127 0.3577 0.544
Echinococcus granulosus FTZ F1 alpha 0.0127 0.3577 0.544
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0177 0.6576 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0127 0.3577 0.544
Schistosoma mansoni coup transcription factor 0.0127 0.3577 0.3577
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0127 0.3577 0.544
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0127 0.3577 0.544
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0177 0.6576 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0127 0.3577 0.544
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0127 0.3577 0.544
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0127 0.3577 0.544
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0127 0.3577 0.544
Loa Loa (eye worm) hypothetical protein 0.0127 0.3577 0.544
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0127 0.3577 0.3577
Brugia malayi nuclear hormone receptor 0.0127 0.3577 0.544
Schistosoma mansoni RAR-like nuclear receptor 0.0127 0.3577 0.3577
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0127 0.3577 0.544
Loa Loa (eye worm) hypothetical protein 0.0127 0.3577 0.544
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0127 0.3577 0.544
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0127 0.3577 0.3577
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0127 0.3577 0.544
Brugia malayi nuclear receptor NHR-88 0.0127 0.3577 0.544
Loa Loa (eye worm) hypothetical protein 0.0127 0.3577 0.544
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0127 0.3577 0.3577
Brugia malayi ecdysteroid receptor 0.0127 0.3577 0.544
Loa Loa (eye worm) hypothetical protein 0.0127 0.3577 0.544
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0127 0.3577 0.544
Loa Loa (eye worm) hypothetical protein 0.0127 0.3577 0.544
Trypanosoma brucei RNA helicase, putative 0.0235 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0127 0.3577 0.544
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0177 0.6576 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0127 0.3577 0.544

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) Antifungal activity against Candida-51 after 72 to 96 hr by two-fold serial dilution method ChEMBL. No reference
MIC (functional) Antibacterial activity against Escherichia coli after 24 hr by two-fold serial dilution method ChEMBL. No reference
MIC (functional) = 100 ug ml-1 Antifungal activity against Candida-6 after 72 to 96 hr by two-fold serial dilution method 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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