Detailed information for compound 349432

Basic information

Technical information
  • TDR Targets ID: 349432
  • Name: N-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyra zin-2-yl]phenyl]acetamide
  • MW: 453.514 | Formula: C22H23N5O4S
  • H donors: 2 H acceptors: 5 LogP: 1.27 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1cccc(c1)c1cncc(n1)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C22H23N5O4S/c1-16(28)24-19-4-2-3-17(13-19)21-14-23-15-22(26-21)25-18-5-7-20(8-6-18)32(29,30)27-9-11-31-12-10-27/h2-8,13-15H,9-12H2,1H3,(H,24,28)(H,25,26)
  • InChiKey: ZVCMGYVZXOWATH-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[3-[6-(4-morpholinosulfonylanilino)pyrazin-2-yl]phenyl]acetamide
  • N-[3-[6-(4-morpholinosulfonylanilino)-2-pyrazinyl]phenyl]acetamide
  • N-[3-[6-[(4-morpholin-4-ylsulfonylphenyl)amino]pyrazin-2-yl]phenyl]ethanamide
  • N-[3-[6-[(4-morpholin-4-ylsulfonylphenyl)amino]pyrazin-2-yl]phenyl]acetamide
  • N-[3-[6-[(4-morpholinosulfonylphenyl)amino]pyrazin-2-yl]phenyl]acetamide
  • N-[3-[6-[(4-morpholinosulfonylphenyl)amino]-2-pyrazinyl]phenyl]acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens B-Raf proto-oncogene, serine/threonine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) TKL/RAF/RAF protein kinase Get druggable targets OG5_130459 All targets in OG5_130459
Schistosoma japonicum ko:K04365 B-Raf proto-oncogene serine/threonine-protein kinase, putative Get druggable targets OG5_130459 All targets in OG5_130459
Loa Loa (eye worm) raf kinase Get druggable targets OG5_130459 All targets in OG5_130459
Echinococcus granulosus raf serine:threonine protein kinase Get druggable targets OG5_130459 All targets in OG5_130459
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_130459 All targets in OG5_130459
Brugia malayi Raf kinase Get druggable targets OG5_130459 All targets in OG5_130459
Echinococcus multilocularis raf serine:threonine protein kinase Get druggable targets OG5_130459 All targets in OG5_130459

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
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0257 0.9609 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0257 0.9609 0.9609
Schistosoma mansoni RAR-like nuclear receptor 0.0257 0.9609 0.9609
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0257 0.9609 0.9609
Echinococcus multilocularis raf serine:threonine protein kinase 0.0262 1 1
Brugia malayi nuclear receptor NHR-88 0.0257 0.9609 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0257 0.9609 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0257 0.9609 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0262 1 1
Schistosoma mansoni nuclear hormone receptor 0.0257 0.9609 0.9609
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0257 0.9609 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0257 0.9609 0.9609
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0257 0.9609 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0257 0.9609 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0257 0.9609 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0257 0.9609 0.9609
Brugia malayi photoreceptor-specific nuclear receptor 0.0257 0.9609 1
Loa Loa (eye worm) hypothetical protein 0.0257 0.9609 0.9707
Schistosoma mansoni thyroid hormone receptor 0.0257 0.9609 0.9609
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0148 0.101 0.102
Schistosoma mansoni retinoic acid receptor RXR 0.0257 0.9609 0.9609
Loa Loa (eye worm) hypothetical protein 0.0257 0.9609 0.9707
Loa Loa (eye worm) steroid hormone receptor 0.0257 0.9609 0.9707
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0257 0.9609 0.9609
Echinococcus granulosus ecdysone induced protein 78C 0.0257 0.9609 0.9609
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0257 0.9609 0.9707
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0257 0.9609 0.9707
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0257 0.9609 0.9707
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0257 0.9609 0.9609
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0257 0.9609 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0257 0.9609 0.9609
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0257 0.9609 0.9707
Schistosoma mansoni coup transcription factor 0.0257 0.9609 0.9609
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0257 0.9609 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0257 0.9609 0.9609
Loa Loa (eye worm) hypothetical protein 0.0257 0.9609 0.9707
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0257 0.9609 0.9707
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0257 0.9609 0.9609
Brugia malayi Raf kinase 0.0253 0.9276 0.9654
Onchocerca volvulus 0.0257 0.9609 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0257 0.9609 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0257 0.9609 0.9609
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0257 0.9609 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0257 0.9609 0.9609
Loa Loa (eye worm) hypothetical protein 0.0257 0.9609 0.9707
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0257 0.9609 0.9609
Onchocerca volvulus Bile acid receptor homolog 0.0257 0.9609 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0257 0.9609 0.9609
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0257 0.9609 0.9609
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0257 0.9609 0.9609
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0257 0.9609 1
Loa Loa (eye worm) hypothetical protein 0.0257 0.9609 0.9707
Loa Loa (eye worm) hypothetical protein 0.0257 0.9609 0.9707
Brugia malayi Steroid receptor seven-up type 2 0.0257 0.9609 1
Echinococcus granulosus FTZ F1 alpha 0.0257 0.9609 0.9609
Echinococcus multilocularis ecdysone induced protein 78C 0.0257 0.9609 0.9609
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0257 0.9609 0.9609
Loa Loa (eye worm) hypothetical protein 0.0257 0.9609 0.9707
Schistosoma mansoni steroid hormone receptor ad4bp 0.0257 0.9609 0.9609
Brugia malayi ecdysteroid receptor 0.0257 0.9609 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0257 0.9609 0.9707
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0257 0.9609 1
Brugia malayi steroid hormone receptor 0.0257 0.9609 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0257 0.9609 0.9609
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0257 0.9609 0.9707
Loa Loa (eye worm) raf kinase 0.026 0.9899 1
Brugia malayi nuclear hormone receptor 0.0257 0.9609 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0257 0.9609 0.9609
Schistosoma mansoni thyroid hormone receptor 0.0257 0.9609 0.9609
Loa Loa (eye worm) hypothetical protein 0.0257 0.9609 0.9707
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0257 0.9609 0.9609
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0257 0.9609 0.9609
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0257 0.9609 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0257 0.9609 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0257 0.9609 0.9609
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0257 0.9609 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 8.3 uM Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB ChEMBL. 16392826
IC50 (functional) = 8.3 uM Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB ChEMBL. 16392826
IC50 (binding) = 8.8 uM Inhibitory activity against human B-RAF ChEMBL. 16392826
IC50 (binding) = 8.8 uM Inhibitory activity against human B-RAF ChEMBL. 16392826

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.