Detailed information for compound 919068

Basic information

Technical information
  • TDR Targets ID: 919068
  • Name: 2-(2,6-dimethylphenyl)diselanyl-1,3-dimethylb enzene
  • MW: 368.234 | Formula: C16H18Se2
  • H donors: 0 H acceptors: 0 LogP: 5.01 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1[Se][Se]c1c(C)cccc1C)C
  • InChi: 1S/C16H18Se2/c1-11-7-5-8-12(2)15(11)17-18-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3
  • InChiKey: GFEAOSIETFCIRI-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2,6-dimethylphenyl)diselanyl-1,3-dimethyl-benzene

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
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0119 1
Brugia malayi hypothetical protein 0.0016 0.0006 0.0017
Brugia malayi hypothetical protein 0.0036 0.0254 0.0688
Entamoeba histolytica hypothetical protein 0.0036 0.0254 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0119 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0429 0.1161
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0119 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0254 0.0688
Echinococcus multilocularis geminin 0.0168 0.1933 0.1933
Loa Loa (eye worm) hypothetical protein 0.0025 0.0119 0.0321
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0254 0.0254
Brugia malayi hypothetical protein 0.0025 0.0119 0.0321
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0119 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0429 0.1161
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0119 1
Loa Loa (eye worm) zinc finger protein 0.0306 0.3691 1
Schistosoma mansoni hypothetical protein 0.0168 0.1933 1
Echinococcus granulosus zinc finger transcription factor gli2 0.0306 0.3691 1
Echinococcus granulosus geminin 0.0168 0.1933 0.5236
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0 0.0002
Leishmania major hypothetical protein, conserved 0.0025 0.0119 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0254 0.1315
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0429 0.1161
Schistosoma mansoni hypothetical protein 0.0036 0.0254 0.1315
Entamoeba histolytica hypothetical protein 0.0036 0.0254 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0 0.0001
Entamoeba histolytica hypothetical protein 0.0036 0.0254 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0429 0.1161
Schistosoma mansoni hypothetical protein 0.0034 0.023 0.1191
Schistosoma mansoni hypothetical protein 0.0168 0.1933 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0 0.0001
Entamoeba histolytica hypothetical protein 0.0036 0.0254 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.023 0.0624
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0119 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.023 0.0624
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0 0.5
Brugia malayi isocitrate dehydrogenase 0.0016 0 0.0001
Brugia malayi Zinc finger, C2H2 type family protein 0.0306 0.3691 1
Echinococcus multilocularis zinc finger transcription factor gli2 0.0306 0.3691 0.3691
Brugia malayi Isocitrate dehydrogenase 0.0016 0 0.0001
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0119 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 35 uM Cytotoxicity against human HT-29 cells after 48 hrs by MTT assay ChEMBL. 24961641

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.