Detailed information for compound 649754

Basic information

Technical information
  • TDR Targets ID: 649754
  • Name: 3-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethoxyp henyl)prop-2-enenitrile
  • MW: 374.229 | Formula: C18H16BrNO3
  • H donors: 0 H acceptors: 1 LogP: 4.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=Cc1ccc(c(c1)Br)OC)c1ccc(c(c1)OC)OC
  • InChi: 1S/C18H16BrNO3/c1-21-16-6-4-12(9-15(16)19)8-14(11-20)13-5-7-17(22-2)18(10-13)23-3/h4-10H,1-3H3/b14-8+
  • InChiKey: XRCVEZDELCMUHS-RIYZIHGNSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (Z)-3-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
  • 3-(3-bromo-4-methoxy-phenyl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
  • (Z)-3-(3-bromo-4-methoxy-phenyl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
  • (Z)-3-(3-bromo-4-methoxy-phenyl)-2-(3,4-dimethoxyphenyl)acrylonitrile
  • 3-(3-bromo-4-methoxy-phenyl)-2-(3,4-dimethoxyphenyl)acrylonitrile
  • ZINC01213402

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 granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0038 0.0461 0.0461
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1691 0.1368
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0038 0.0461 0.0461
Echinococcus granulosus muscleblind protein 0.0162 1 1
Loa Loa (eye worm) hypothetical protein 0.0162 1 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0038 0.0461 0.0461
Loa Loa (eye worm) hypothetical protein 0.0038 0.0461 0.0461
Loa Loa (eye worm) hypothetical protein 0.0038 0.0461 0.0461
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0038 0.0461 0.0461
Loa Loa (eye worm) hypothetical protein 0.0038 0.0461 0.0461
Echinococcus multilocularis muscleblind protein 1 0.0162 1 1
Onchocerca volvulus 0.0082 0.3858 1
Echinococcus multilocularis muscleblind protein 0.0162 1 1
Brugia malayi Thrombospondin type 1 domain containing protein 0.0082 0.3858 0.362
Loa Loa (eye worm) hypothetical protein 0.0162 1 1
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0038 0.0461 0.009
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0038 0.0461 0.025
Loa Loa (eye worm) hypothetical protein 0.0054 0.1691 0.1691
Schistosoma mansoni hypothetical protein 0.0082 0.3858 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0038 0.0461 0.0461
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0038 0.0461 0.0461
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0038 0.0461 0.0461
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0038 0.0461 0.0461
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0038 0.0461 0.025
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0038 0.0461 0.025
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0082 0.3858 0.3858
Loa Loa (eye worm) hypothetical protein 0.0037 0.0374 0.0374
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1691 0.1368
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0038 0.0461 0.025
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0038 0.0461 0.0461
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0038 0.0461 0.0461
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0038 0.0461 0.0461
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1691 0.1691

Activities

No activities found for this compound.

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

No literature references available for this target.

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