Detailed information for compound 83166

Basic information

Technical information
  • TDR Targets ID: 83166
  • Name: 2-(3,5-dimethylphenyl)sulfonyl-6-fluorobenzon itrile
  • MW: 289.325 | Formula: C15H12FNO2S
  • H donors: 0 H acceptors: 3 LogP: 3.27 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(F)cccc1S(=O)(=O)c1cc(C)cc(c1)C
  • InChi: 1S/C15H12FNO2S/c1-10-6-11(2)8-12(7-10)20(18,19)15-5-3-4-14(16)13(15)9-17/h3-8H,1-2H3
  • InChiKey: IIJZOAOJOVESFL-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(3,5-dimethylphenyl)sulfonyl-6-fluoro-benzonitrile
  • 2-(3,5-dimethylphenyl)sulfonyl-6-fluoro-benzenecarbonitrile
  • 2-[(3,5-Dimethylphenyl)sulfonyl]-6-fluorobenzenecarbonitrile
  • AIDS-108480
  • AIDS108480

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 high affinity choline transporter 1 0.0361 0.6774 0.9934
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0449 1 1
Echinococcus multilocularis 0.0362 0.6819 1
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0273 0.355 0.355
Brugia malayi celfurPC protein 0.0362 0.6819 0.4795
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.355 0.5
Echinococcus granulosus furin 0.0449 1 1
Loa Loa (eye worm) hypothetical protein 0.0449 1 1
Schistosoma mansoni furin-1 (S08 family) 0.0195 0.0709 0.0709
Schistosoma mansoni high-affinity choline transporter 0.0361 0.6774 0.6774
Echinococcus multilocularis neuroendocrine convertase 2 0.0282 0.389 0.5704
Brugia malayi GH02984p 0.0361 0.6774 0.4721
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0273 0.355 0.5206
Echinococcus granulosus neuroendocrine convertase 2 0.0282 0.389 0.389
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.355 0.5
Loa Loa (eye worm) endoprotease bli-4 0.0449 1 1
Echinococcus granulosus high affinity choline transporter 1 0.0361 0.6774 0.6774
Loa Loa (eye worm) hypothetical protein 0.0361 0.6774 0.6773

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.5 uM Antiviral activity against HIV-1 infected human MT-4 cells. ChEMBL. 11384233
IC50 (functional) > 200 uM Cell culture cytotoxicity against MT-4 cells. ChEMBL. 11384233
IC50 (functional) > 200 uM Cell culture cytotoxicity against MT-4 cells. ChEMBL. 11384233

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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