Detailed information for compound 1409083

Basic information

Technical information
  • TDR Targets ID: 1409083
  • Name: 4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzenesu lfonamide
  • MW: 360.492 | Formula: C15H24N2O4S2
  • H donors: 1 H acceptors: 4 LogP: 2.32 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCNS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
  • InChi: 1S/C15H24N2O4S2/c1-2-3-4-11-16-23(20,21)15-9-7-14(8-10-15)17-12-5-6-13-22(17,18)19/h7-10,16H,2-6,11-13H2,1H3
  • InChiKey: RIDJKUCPYFWIKC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1,1-dioxothiazinan-2-yl)-N-pentyl-benzenesulfonamide
  • 4-(1,1-dioxo-2-thiazinanyl)-N-pentylbenzenesulfonamide
  • N-amyl-4-(1,1-diketothiazinan-2-yl)benzenesulfonamide
  • 4-(1,1-dioxo-1,2-thiazinan-2-yl)-N-pentyl-benzenesulfonamide
  • NCGC00131396-01
  • ZINC05135953
  • G508-0034

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.018 0.018
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0043 0.0021 0.5
Plasmodium falciparum methionine aminopeptidase 2 0.0043 0.0021 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.018 0.018
Plasmodium vivax methionine aminopeptidase 2, putative 0.0043 0.0021 0.5
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0043 0.0021 0.5
Loa Loa (eye worm) initiation factor 2-associated protein 0.0043 0.0021 0.0021
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0043 0.0021 0.5
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0043 0.0021 0.5
Schistosoma mansoni hypothetical protein 0.1099 1 1
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.1099 1 1
Leishmania major methionine aminopeptidase 2, putative 0.0043 0.0021 0.5
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0043 0.0021 0.5
Entamoeba histolytica methionine aminopeptidase, putative 0.0043 0.0021 0.5
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0043 0.0021 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0043 0.0021 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.018 0.018
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0043 0.0021 0.5
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0043 0.0021 0.5
Brugia malayi initiation factor 2-associated protein. 0.0043 0.0021 0.0021
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.1099 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.018 0.018
Schistosoma mansoni hypothetical protein 0.1099 1 1
Giardia lamblia Methionine aminopeptidase 0.0043 0.0021 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0043 0.0021 0.5
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.1099 1 1
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0043 0.0021 0.0021

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference

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.

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