Detailed information for compound 666766

Basic information

Technical information
  • TDR Targets ID: 666766
  • Name: 3-[(4-ethoxyphenyl)amino]-1-(4-methoxyphenyl) but-2-en-1-one
  • MW: 311.375 | Formula: C19H21NO3
  • H donors: 1 H acceptors: 1 LogP: 4.62 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=CC(=O)c1ccc(cc1)OC)C
  • InChi: 1S/C19H21NO3/c1-4-23-18-11-7-16(8-12-18)20-14(2)13-19(21)15-5-9-17(22-3)10-6-15/h5-13,20H,4H2,1-3H3/b14-13+
  • InChiKey: KWBDGVONORVVHU-BUHFOSPRSA-N  

Network

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Synonyms

  • (E)-3-[(4-ethoxyphenyl)amino]-1-(4-methoxyphenyl)but-2-en-1-one
  • Oprea1_481694
  • ZINC04819229

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
Schistosoma mansoni thyroid hormone receptor 0.0142 0.4117 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.3387 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0049 0.0075
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.2513 0.3855
Schistosoma mansoni hypothetical protein 0.0031 0.0049 0.0119
Echinococcus granulosus GPCR family 2 0.0031 0.0049 0.0144
Brugia malayi MH2 domain containing protein 0.0116 0.3155 0.4841
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0302 1 1
Mycobacterium ulcerans hypothetical protein 0.0159 0.4751 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0049 0.0075
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0302 1 1
Schistosoma mansoni hypothetical protein 0.0031 0.0049 0.0119
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.1372 0.2105
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.3155 0.4841
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.2513 0.3855
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0049 0.0119
Schistosoma mansoni thyroid hormone receptor 0.0142 0.4117 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0049 0.0144
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.3155 0.4841
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0049 0.0144
Onchocerca volvulus 0.0236 0.757 1
Schistosoma mansoni hypothetical protein 0.0031 0.0049 0.0119
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0049 0.0075
Toxoplasma gondii hypothetical protein 0.0049 0.0697 1
Schistosoma mansoni hypothetical protein 0.0122 0.3387 0.8225
Mycobacterium tuberculosis Conserved hypothetical protein 0.0159 0.4751 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0049 0.0075
Schistosoma mansoni hypothetical protein 0.0031 0.0049 0.0119
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.3387 0.8225
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.6518 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.2513 0.3855
Schistosoma mansoni hypothetical protein 0.0067 0.1372 0.3333
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.4158 0.3871
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0049 0.0119
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0809 0.0358
Loa Loa (eye worm) hypothetical protein 0.0098 0.2513 0.3855
Plasmodium vivax SET domain protein, putative 0.003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.1372 0.2105
Trichomonas vaginalis set domain proteins, putative 0.0236 0.757 0.5
Brugia malayi Pre-SET motif family protein 0.0207 0.6518 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0143 0.4158 0.3871
Echinococcus multilocularis GPCR, family 2 0.0031 0.0049 0.0119
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0302 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0142 0.4117 1

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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