Detailed information for compound 409525

Basic information

Technical information
  • TDR Targets ID: 409525
  • Name: 2-benzylselanyl-N-phenylbenzamide
  • MW: 366.315 | Formula: C20H17NOSe
  • H donors: 1 H acceptors: 1 LogP: 4.68 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1[Se]Cc1ccccc1)Nc1ccccc1
  • InChi: 1S/C20H17NOSe/c22-20(21-17-11-5-2-6-12-17)18-13-7-8-14-19(18)23-15-16-9-3-1-4-10-16/h1-14H,15H2,(H,21,22)
  • InChiKey: VZWOVTQJAYQLSN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-benzylselanyl-N-phenyl-benzamide
  • 2-(benzylseleno)-N-phenylbenzamide
  • N-phenyl-2-(phenylmethylselanyl)benzamide
  • 2-(benzylseleno)-N-phenyl-benzamide
  • N-phenyl-2-(phenylmethylseleno)benzamide

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 serine peptidase, clan SC, family S9A-like protein, putative 0.005 0.0217 0.0217
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0126 0.1452 0.1452
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0654 1 1
Trypanosoma brucei prolyl endopeptidase 0.0126 0.1452 0.1452
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.005 0.0217 0.0217
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0113 0.1237 0.1043
Echinococcus granulosus prolyl endopeptidase 0.0126 0.1452 0.1452
Trypanosoma cruzi oligopeptidase b 0.005 0.0217 0.0217
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0654 1 1
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0654 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0126 0.1452 0.1452
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0654 1 1
Loa Loa (eye worm) hypothetical protein 0.0654 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0654 1 1
Trypanosoma cruzi oligopeptidase b 0.005 0.0217 0.0217
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0654 1 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0654 1 1
Toxoplasma gondii prolyl endopeptidase 0.0126 0.1452 0.1452
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0654 1 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0654 1 1
Plasmodium vivax RNA helicase-1, putative 0.0654 1 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.005 0.0217 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0654 1 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0654 1 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.0654 1 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.005 0.0217 0.0217
Treponema pallidum ATP-dependent RNA helicase 0.0654 1 0.5
Trypanosoma brucei oligopeptidase b 0.005 0.0217 0.0217
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0126 0.1452 0.1452
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.005 0.0217 0.5
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.005 0.0217 0.0217
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0654 1 1
Trypanosoma cruzi prolyl endopeptidase 0.0126 0.1452 0.1452
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0654 1 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0654 1 1
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0654 1 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0654 1 1
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.005 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.0126 0.1452 0.1452
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0654 1 1
Echinococcus multilocularis prolyl endopeptidase 0.0126 0.1452 0.1452
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0654 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0126 0.1452 0.1452
Leishmania major oligopeptidase b 0.005 0.0217 0.0217
Plasmodium falciparum eukaryotic initiation factor 4A 0.0654 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Effect on gamma irradiation-induced TBARS formation in liposomes at 50 uM ChEMBL. 16919452
Activity (functional) 0 Antioxidant actvity assessed by singlet oxygen quenching ability ChEMBL. 16919452
IC50 (functional) = 75 uM Inhibition of gamma radiation-induced lipid peroxidation in liposomes ChEMBL. 16919452
IC50 (binding) > 100 uM Inhibition of horseradish peroxidase by spectrophotometric method ChEMBL. 16919452
Inhibition (binding) = 33.1 % Inhibition of horseradish peroxidase at 100 uM ChEMBL. 16919452
Km (functional) = 2.2 mM Glutathione peroxidase activity assessed by GSH-GSSG coupled assay ChEMBL. 16919452

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.

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