Detailed information for compound 313761

Basic information

Technical information
  • TDR Targets ID: 313761
  • Name: N-[(8R)-1-azabicyclo[2.2.2]octan-8-yl]-4-meth ylsulfanylbenzamide
  • MW: 276.397 | Formula: C15H20N2OS
  • H donors: 1 H acceptors: 1 LogP: 2.33 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2
  • InChi: 1S/C15H20N2OS/c1-19-13-4-2-12(3-5-13)15(18)16-14-10-17-8-6-11(14)7-9-17/h2-5,11,14H,6-10H2,1H3,(H,16,18)/t14-/m0/s1
  • InChiKey: UEGNOTKKWUNLTM-AWEZNQCLSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-methylsulfanyl-N-[(3R)-quinuclidin-3-yl]benzamide
  • 4-(methylthio)-N-[(3R)-3-quinuclidinyl]benzamide
  • N-[(8R)-1-azabicyclo[2.2.2]octan-8-yl]-4-methylsulfanyl-benzamide
  • 4-(methylthio)-N-[(3R)-quinuclidin-3-yl]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
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0079 0 0.5
Toxoplasma gondii aminopeptidase N, putative 0.0079 0 0.5
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0079 0 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0079 0 0.5
Mycobacterium ulcerans aminopeptidase N PepN 0.0079 0 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0079 0 0.5
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0079 0 0.5
Echinococcus multilocularis leukotriene A 4 hydrolase 0.1494 1 1
Schistosoma mansoni hypothetical protein 0.0165 0.0608 0.0608
Entamoeba histolytica aminopeptidase, putative 0.0079 0 0.5
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0079 0 0.5
Brugia malayi hypothetical protein 0.0687 0.4294 1
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0079 0 0.5
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0792 0.5035 0.5035
Trypanosoma cruzi aminopeptidase, putative 0.0079 0 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0079 0 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0079 0 0.5
Echinococcus multilocularis geminin 0.0165 0.0608 0.0608
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.1494 1 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0079 0 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0079 0 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0079 0 0.5
Toxoplasma gondii aminopeptidase n, putative 0.0079 0 0.5
Trypanosoma cruzi Aminopeptidase M1, putative 0.0079 0 0.5
Onchocerca volvulus 0.0079 0 0.5
Trypanosoma brucei aminopeptidase, putative 0.0079 0 0.5
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0079 0 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0079 0 0.5
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0079 0 0.5
Onchocerca volvulus 0.0079 0 0.5
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0079 0 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0079 0 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0079 0 0.5
Onchocerca volvulus 0.0079 0 0.5
Schistosoma mansoni hypothetical protein 0.0165 0.0608 0.0608
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0079 0 0.5
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0079 0 0.5
Loa Loa (eye worm) leukotriene A4 hydrolase 0.1494 1 1
Echinococcus granulosus geminin 0.0165 0.0608 0.0608
Toxoplasma gondii aminopeptidase N protein 0.0079 0 0.5
Mycobacterium ulcerans aminopeptidase N PepN 0.0079 0 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 164 nM Agonistic activity against Nicotinic acetylcholine receptor alpha7 - 5-hydroxytryptamine 3 receptor chimera ChEMBL. 15715459

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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