Detailed information for compound 289465

Basic information

Technical information
  • TDR Targets ID: 289465
  • Name: N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(3-oxo-1,2 -benzothiazol-2-yl)benzenesulfonamide
  • MW: 401.459 | Formula: C18H15N3O4S2
  • H donors: 1 H acceptors: 4 LogP: 3.09 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc(oc1C)NS(=O)(=O)c1ccc(cc1)n1sc2c(c1=O)cccc2
  • InChi: 1S/C18H15N3O4S2/c1-11-12(2)25-18(19-11)20-27(23,24)14-9-7-13(8-10-14)21-17(22)15-5-3-4-6-16(15)26-21/h3-10H,1-2H3,(H,19,20)
  • InChiKey: JNMADICHHYHSCG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4,5-dimethyloxazol-2-yl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
  • N-(4,5-dimethyl-2-oxazolyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
  • N-(4,5-dimethyloxazol-2-yl)-4-(3-keto-1,2-benzothiazol-2-yl)benzenesulfonamide

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
Trichomonas vaginalis adenosine deaminase, putative 0.0517 1 0.5
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0517 1 0.5
Echinococcus granulosus adenosine deaminase 0.0517 1 0.5
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0517 1 0.5
Entamoeba histolytica adenosine deaminase, putative 0.0517 1 0.5
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0517 1 0.5
Treponema pallidum adenosine deaminase 0.0517 1 0.5
Plasmodium vivax adenosine deaminase, putative 0.0517 1 0.5
Plasmodium falciparum adenosine deaminase 0.0517 1 0.5
Entamoeba histolytica adenosine deaminase, putative 0.0517 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0517 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.0517 1 0.5
Onchocerca volvulus Adenosine deaminase homolog 0.0517 1 0.5
Leishmania major adenine aminohydrolase 0.0517 1 0.5
Mycobacterium ulcerans adenosine deaminase 0.0517 1 0.5
Echinococcus multilocularis adenosine deaminase 0.0517 1 0.5
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0517 1 0.5
Schistosoma mansoni adenosine deaminase-related 0.0517 1 0.5
Schistosoma mansoni adenosine deaminase 0.0517 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 uM Antiviral activity of compound against HIV-1 infected CEM-SS cells was determined in XTT cytoprotection assay; not tested ChEMBL. 9888834

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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