Detailed information for compound 34933

Basic information

Technical information
  • TDR Targets ID: 34933
  • Name: 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benze nesulfonamide
  • MW: 267.304 | Formula: C11H13N3O3S
  • H donors: 2 H acceptors: 3 LogP: 1.31 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1cccc(c1)S(=O)(=O)Nc1onc(c1C)C
  • InChi: 1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-4-9(12)6-10/h3-6,14H,12H2,1-2H3
  • InChiKey: DYMSUHJDDSKSQV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide
  • 3-amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide
  • 3-azanyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Endothelin receptor ET-A Starlite/ChEMBL 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
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor Endothelin receptor ET-A   426 aa 412 aa 21.1 %
Echinococcus granulosus pyroglutamylated rfamide peptide receptor Endothelin receptor ET-A   426 aa 412 aa 20.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Blistered cuticle protein 3 0.071 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.071 0.5 0.5
Echinococcus granulosus peroxidasin 0.071 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.071 0.5 0.5
Brugia malayi Animal haem peroxidase family protein 0.071 0.5 0.5
Echinococcus multilocularis peroxidasin 0.071 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.071 0.5 0.5
Onchocerca volvulus Peroxidase homolog 0.071 0.5 0.5
Onchocerca volvulus Peroxidase homolog 0.071 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.071 0.5 0.5
Brugia malayi Peroxidasin 0.071 0.5 0.5
Onchocerca volvulus Chorion peroxidase homolog 0.071 0.5 0.5
Schistosoma mansoni peroxidasin 0.071 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.071 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.071 0.5 0.5
Loa Loa (eye worm) animal heme peroxidase 0.071 0.5 0.5
Onchocerca volvulus Peroxidasin homolog 0.071 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.071 0.5 0.5
Onchocerca volvulus 0.071 0.5 0.5
Loa Loa (eye worm) animal heme peroxidase 0.071 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.071 0.5 0.5
Onchocerca volvulus Dual oxidase homolog 0.071 0.5 0.5
Brugia malayi Animal haem peroxidase family protein 0.071 0.5 0.5
Schistosoma mansoni peroxidasin 0.071 0.5 0.5
Loa Loa (eye worm) animal heme peroxidase 0.071 0.5 0.5
Brugia malayi Animal haem peroxidase family protein 0.071 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.071 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.071 0.5 0.5
Onchocerca volvulus 0.071 0.5 0.5
Loa Loa (eye worm) animal heme peroxidase 0.071 0.5 0.5
Loa Loa (eye worm) blistered cuticle protein 3 0.071 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.071 0.5 0.5
Brugia malayi Animal haem peroxidase family protein 0.071 0.5 0.5
Onchocerca volvulus 0.071 0.5 0.5
Onchocerca volvulus Peroxidasin homolog 0.071 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.071 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.071 0.5 0.5
Brugia malayi Animal haem peroxidase family protein 0.071 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.071 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.3 uM Inhibition of [125I]-endothelin-l binding to endothelin A receptor of rat thoracic aorta smooth muscle cells ChEMBL. 7861414
IC50 (binding) = 1.3 uM Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells. ChEMBL. 7731020
IC50 (binding) = 1.3 uM Inhibition of [125I]-endothelin-l binding to endothelin A receptor of rat thoracic aorta smooth muscle cells ChEMBL. 7861414
IC50 (binding) = 1.3 uM Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells. ChEMBL. 7731020

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

2 literature references were collected for this gene.

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