Detailed information for compound 1458972

Basic information

Technical information
  • TDR Targets ID: 1458972
  • Name: 2-(phenoxy)-N-[2-(thiophen-2-ylsulfonylamino) phenyl]acetamide
  • MW: 388.461 | Formula: C18H16N2O4S2
  • H donors: 2 H acceptors: 3 LogP: 3.33 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1NS(=O)(=O)c1cccs1)COc1ccccc1
  • InChi: 1S/C18H16N2O4S2/c21-17(13-24-14-7-2-1-3-8-14)19-15-9-4-5-10-16(15)20-26(22,23)18-11-6-12-25-18/h1-12,20H,13H2,(H,19,21)
  • InChiKey: GNYWLYBHAFUJNX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(phenoxy)-N-[2-(2-thienylsulfonylamino)phenyl]acetamide
  • 2-(phenoxy)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]ethanamide
  • ZINC03196950
  • MLS000374470
  • SMR000242386

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 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 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans ATPase 0.0035 0.3493 0.5
Brugia malayi valosin containing protein 0.0034 0.3316 0.2765
Mycobacterium tuberculosis Putative conserved ATPase 0.0035 0.3493 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Giardia lamblia AAA family ATPase 0.0035 0.3493 0.5
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Trypanosoma cruzi Valosin-containing protein, putative 0.0055 0.8665 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.5143 0.5057
Entamoeba histolytica cdc48-like protein, putative 0.0055 0.8665 0.5
Toxoplasma gondii cell division protein CDC48AP 0.0035 0.3493 0.0000097958
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.0055 0.8665 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.3316 0.2765
Loa Loa (eye worm) vesicle-fusing ATPase 0.0034 0.3316 0.2765
Echinococcus granulosus transitional endoplasmic reticulum atpase 0.0058 0.9426 0.5
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.0055 0.8665 1
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0058 0.9426 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5143 0.4743
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0055 0.8665 0.9122
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.0055 0.8665 0.5
Brugia malayi vesicle-fusing ATPase 0.0034 0.3316 0.2765
Trypanosoma brucei Valosin-containing protein 0.0055 0.8665 0.5
Toxoplasma gondii cell division protein CDC48CY 0.0058 0.9426 1
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.0055 0.8665 0.5
Trichomonas vaginalis spermatogenesis associated factor, putative 0.0058 0.9426 0.5
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.0058 0.9426 0.5
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0058 0.9426 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.5143 0.4743

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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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