Detailed information for compound 349438

Basic information

Technical information
  • TDR Targets ID: 349438
  • Name: N-[3-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)a mino]pyrazin-2-yl]phenyl]acetamide
  • MW: 384.336 | Formula: C19H14F2N4O3
  • H donors: 2 H acceptors: 3 LogP: 3.08 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1cccc(c1)c1cncc(n1)Nc1ccc2c(c1)OC(O2)(F)F
  • InChi: 1S/C19H14F2N4O3/c1-11(26)23-13-4-2-3-12(7-13)15-9-22-10-18(25-15)24-14-5-6-16-17(8-14)28-19(20,21)27-16/h2-10H,1H3,(H,23,26)(H,24,25)
  • InChiKey: RZVOBOMCZOXHTE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-pyrazinyl]phenyl]acetamide
  • N-[3-[6-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pyrazin-2-yl]phenyl]ethanamide

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
Echinococcus multilocularis FTZ F1 alpha 0.0056 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.1071 0.1071
Echinococcus multilocularis thyroid hormone receptor alpha 0.0056 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0056 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0056 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0056 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0056 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0056 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0056 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0056 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0056 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0056 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0056 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.1071 0.1071
Schistosoma mansoni thyroid hormone receptor 0.0056 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.1071 0.1071
Schistosoma mansoni coup transcription factor 0.0056 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0056 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0056 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.003 0.1071 0.1071
Onchocerca volvulus Bile acid receptor homolog 0.0056 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0056 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.1071 0.1071
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0056 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0056 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0056 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0056 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0056 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0085
Brugia malayi nuclear hormone receptor 0.0056 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0056 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.003 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0056 1 1
Onchocerca volvulus 0.0056 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0056 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0056 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0056 1 1
Brugia malayi nuclear receptor NHR-88 0.0056 1 1
Onchocerca volvulus 0.0027 0.0253 0.0253
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0056 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.1071 0.1071
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.003 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0056 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0056 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0056 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0056 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0056 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0056 1 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0253 0.0253
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0056 1 1
Brugia malayi steroid hormone receptor 0.0056 1 1
Echinococcus granulosus lamin dm0 0.0027 0.0253 0.0253
Echinococcus multilocularis lamin 0.0027 0.0253 0.0253
Schistosoma mansoni nuclear hormone receptor 0.0056 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0253 0.0253
Brugia malayi hypothetical protein 0.003 0.1071 0.1071
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0056 1 1
Echinococcus granulosus FTZ F1 alpha 0.0056 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.1071 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0056 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0253 0.0253
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0056 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0056 1 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0253 0.0253
Schistosoma mansoni retinoic acid receptor RXR 0.0056 1 1
Onchocerca volvulus 0.0027 0.0253 0.0253
Echinococcus granulosus intermediate filament protein 0.0027 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.0056 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0056 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0056 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0056 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0056 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0056 1 1
Schistosoma mansoni thyroid hormone receptor 0.0056 1 1
Echinococcus multilocularis lamin dm0 0.0027 0.0253 0.0253
Brugia malayi hypothetical protein 0.003 0.1071 0.1071
Echinococcus granulosus lamin 0.0027 0.0253 0.0253
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0253 0.0253
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0056 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0056 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0056 1 1
Schistosoma mansoni lamin 0.0027 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.003 0.1071 0.1071
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.003 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0056 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0056 1 1
Schistosoma mansoni hypothetical protein 0.0052 0.868 0.868
Echinococcus multilocularis musashi 0.0027 0.0253 0.0253
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0056 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0056 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 1 1
Schistosoma mansoni lamin 0.0027 0.0253 0.0253
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0056 1 1
Brugia malayi intermediate filament protein 0.0027 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.0056 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0056 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0056 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0056 1 1
Brugia malayi nuclear receptor RXR 0.003 0.1071 0.1071

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB ChEMBL. 16392826
IC50 (binding) = 37 uM Inhibitory activity against human B-RAF ChEMBL. 16392826
IC50 (binding) = 37 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.

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