Detailed information for compound 231638

Basic information

Technical information
  • TDR Targets ID: 231638
  • Name: dibenzothiophene 5-oxide
  • MW: 200.256 | Formula: C12H8OS
  • H donors: 0 H acceptors: 1 LogP: 3.14 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][S+]1c2ccccc2c2c1cccc2
  • InChi: 1S/C12H8OS/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
  • InChiKey: NGDPCAMPVQYGCW-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1013-23-6
  • Dibenzo[b,d]thiophene 5-oxide
  • AIDS-134531
  • AIDS134531
  • 5-OXIDE-DIBENZOTHIOPHENE
  • Dibenzothiophene S-oxide
  • NSC633010
  • Dibenzothiophene sulfoxide
  • Dibenzothiophene, 5-oxide (8CI)(9CI)
  • NSC 170577
  • InChI=1/C12H8OS/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8
  • dibenzo[b,d]thiophene, 5-oxide
  • Dibenzothiophene, 5-oxide
  • NSC170577
  • Dibenzothiophene-5-oxide
  • c0057

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 granulosus glutamate receptor 2 0.0125 0.185 0.193
Loa Loa (eye worm) glutamate receptor 2 0.0173 0.344 1
Schistosoma mansoni glutamate receptor kainate 0.0173 0.344 0.344
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0194 0.4147 0.4326
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0194 0.4147 0.4326
Schistosoma mansoni glutamate receptor kainate 0.0173 0.344 0.344
Echinococcus granulosus glutamate receptor NMDA 0.0176 0.3557 0.371
Brugia malayi Glutamate receptor 1 precursor 0.0173 0.344 1
Echinococcus multilocularis glutamate receptor 2 0.0173 0.344 0.3589
Echinococcus multilocularis nmda type glutamate receptor 0.0267 0.656 0.6843
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0194 0.4147 0.4326
Schistosoma mansoni glutamate receptor kainate 0.0173 0.344 0.344
Echinococcus multilocularis glutamate receptor 2 0.0194 0.4147 0.4326
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0358 0.9586 1
Echinococcus multilocularis glutamate receptor NMDA 0.0176 0.3557 0.371
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0194 0.4147 0.4326
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0194 0.4147 0.4326
Brugia malayi Glutamate receptor 2 precursor 0.0173 0.344 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0194 0.4147 0.4326
Echinococcus granulosus nmda type glutamate receptor 0.0267 0.656 0.6843
Schistosoma mansoni glutamate receptor AMPA 0.0173 0.344 0.344
Echinococcus multilocularis nmda type glutamate receptor 0.0198 0.4263 0.4447
Loa Loa (eye worm) glutamate receptor 1 0.0173 0.344 1
Echinococcus multilocularis glutamate receptor 2 0.0125 0.185 0.193
Schistosoma mansoni glutamate receptor NMDA 0.0358 0.9586 0.9586
Schistosoma mansoni glutamate receptor AMPA 0.0173 0.344 0.344
Echinococcus granulosus nmda type glutamate receptor 0.0198 0.4263 0.4447
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0091 0.0706 0.0737
Echinococcus granulosus glutamate NMDA receptor subunit 0.0358 0.9586 1
Echinococcus granulosus glutamate receptor 2 0.0194 0.4147 0.4326
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0194 0.4147 0.4326
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0194 0.4147 0.4326
Schistosoma mansoni ATP-binding cassette transporter 0.0173 0.344 0.344

Activities

Activity type Activity value Assay description Source Reference
Bioreduction (functional) = 0 % Bioreduction experiment was conducted by incubation of the sulfoxides with rat liver S-9 fractions in anaerobic conditions N2) ChEMBL. 11063612
Bioreduction (functional) = 0 % Bioreduction experiment was conducted by incubation of the sulfoxides with rat liver S-9 fractions in anaerobic conditions (N2, without cofactors) ChEMBL. 11063612
Bioreduction (functional) = 4.4 % Bioreduction experiment was conducted by incubation of the sulfoxides with rat liver S-9 fractions in anaerobic conditions (N2, benzaldehyde) ChEMBL. 11063612
E (functional) = 1.82 -V Reduction potential (SCE) determined by differential pulse polarography of the sulfoxides with rat liver S-9 fractions ChEMBL. 11063612

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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