Detailed information for compound 337349

Basic information

Technical information
  • TDR Targets ID: 337349
  • Name: N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol -2-amine
  • MW: 328.386 | Formula: C17H16N2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCS(=O)(=O)c1cccc(c1)Nc1ncc(o1)c1ccccc1
  • InChi: 1S/C17H16N2O3S/c1-2-23(20,21)15-10-6-9-14(11-15)19-17-18-12-16(22-17)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,18,19)
  • InChiKey: ZSUBOTGCWWCVOR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-ethylsulfonylphenyl)-5-phenyl-oxazol-2-amine
  • N-(3-ethylsulfonylphenyl)-5-phenyl-2-oxazolamine
  • (3-esylphenyl)-(5-phenyloxazol-2-yl)amine
  • (3-ethylsulfonylphenyl)-(5-phenyloxazol-2-yl)amine
  • 2-Anilino-5-aryloxazole 13

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens fms-related tyrosine kinase 4 Starlite/ChEMBL References
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
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
Schistosoma mansoni phosphoglucomutase 0.0188 0.2497 0.2497
Onchocerca volvulus Tyrosine kinase homolog 0.0384 0.5338 1
Echinococcus multilocularis roundabout 2 0.0026 0.0145 0.0579
Loa Loa (eye worm) hypothetical protein 0.0026 0.0145 0.0171
Trypanosoma brucei ingi protein (ORF1) 0.0204 0.2728 0.2728
Brugia malayi RNase H family protein 0.0188 0.2497 0.4517
Echinococcus granulosus ribonuclease H1 0.0188 0.2497 1
Schistosoma mansoni cell adhesion molecule 0.0019 0.0051 0.0051
Trypanosoma brucei hypothetical protein, conserved 0.0204 0.2728 0.2728
Toxoplasma gondii ribonuclease HI protein 0.0188 0.2497 0.5
Echinococcus granulosus twitchin 0.0018 0.0025 0.01
Trypanosoma brucei RNA helicase, putative 0.0705 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0397 0.5527 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0019 0.0051 0.0204
Giardia lamblia Ribonuclease H 0.0188 0.2497 1
Schistosoma mansoni tyrosine kinase 0.0017 0.0015 0.0015
Echinococcus multilocularis ribonuclease H1 0.0188 0.2497 1
Brugia malayi RNase H family protein 0.0188 0.2497 0.4517
Trypanosoma brucei unspecified product 0.0204 0.2728 0.2728
Loa Loa (eye worm) hypothetical protein 0.0026 0.0145 0.0171
Echinococcus granulosus roundabout 2 0.0026 0.0145 0.0579
Echinococcus multilocularis neuroglian 0.0018 0.0025 0.01
Echinococcus granulosus neuroglian 0.0018 0.0025 0.01
Trypanosoma cruzi ribonuclease H1, putative 0.0188 0.2497 1
Trypanosoma cruzi ribonuclease H1, putative 0.0188 0.2497 1
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0188 0.2497 0.5
Schistosoma mansoni phosphoglucomutase 0.0188 0.2497 0.2497
Trichomonas vaginalis ribonuclease H1, putative 0.0188 0.2497 1
Onchocerca volvulus 0.0375 0.5211 0.9762
Trypanosoma brucei ribonuclease H1 0.0188 0.2497 0.2497
Mycobacterium tuberculosis Possible maturase 0.0016 0 0.5
Schistosoma mansoni phosphoglucomutase 0.0188 0.2497 0.2497
Onchocerca volvulus Ribonuclease H1 homolog 0.0188 0.2497 0.4677
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0204 0.2728 0.2728
Leishmania major ribonuclease H1, putative 0.0188 0.2497 0.5
Schistosoma mansoni nephrin 0.0018 0.0025 0.0025
Trypanosoma brucei ingi protein (ORF1) 0.0204 0.2728 0.2728
Brugia malayi Immunoglobulin I-set domain containing protein 0.0397 0.5527 1
Brugia malayi RNase H family protein 0.0188 0.2497 0.4517
Treponema pallidum ribonuclease H (rnhA) 0.0188 0.2497 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.72 uM Inhibition of human Vascular endothelial growth factor receptor 2 ChEMBL. 15743202
IC50 (binding) = 0.72 uM Inhibition of human Vascular endothelial growth factor receptor 2 ChEMBL. 15743202
IC50 (functional) = 10.2 uM Inhibition of VEGF-induced proliferation of human umbilical vein endothelial cells ChEMBL. 15743202
IC50 (functional) = 10.2 uM Inhibition of VEGF-induced proliferation of human umbilical vein endothelial cells ChEMBL. 15743202

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.