Detailed information for compound 779892

Basic information

Technical information
  • TDR Targets ID: 779892
  • Name: 3,5-bis[(4-ethoxyphenyl)methylidene]-1-ethylp iperidin-4-one
  • MW: 391.503 | Formula: C25H29NO3
  • H donors: 0 H acceptors: 1 LogP: 4.68 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CC(=Cc2ccc(cc2)OCC)C(=O)/C(=C\c2ccc(cc2)OCC)/C1
  • InChi: 1S/C25H29NO3/c1-4-26-17-21(15-19-7-11-23(12-8-19)28-5-2)25(27)22(18-26)16-20-9-13-24(14-10-20)29-6-3/h7-16H,4-6,17-18H2,1-3H3/b21-15+,22-16+
  • InChiKey: HPADWTBMLJTJPT-YHARCJFQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3E,5E)-3,5-bis[(4-ethoxyphenyl)methylidene]-1-ethylpiperidin-4-one
  • 3,5-bis[(4-ethoxyphenyl)methylene]-1-ethyl-piperidin-4-one
  • (3E,5E)-3,5-bis[(4-ethoxyphenyl)methylene]-1-ethyl-piperidin-4-one
  • 3,5-bis[(4-ethoxyphenyl)methylene]-1-ethyl-4-piperidinone
  • (3E,5E)-3,5-bis[(4-ethoxyphenyl)methylene]-1-ethyl-4-piperidinone
  • (3E,5E)-3,5-bis(4-ethoxybenzylidene)-1-ethyl-4-piperidone
  • 3,5-bis(4-ethoxybenzylidene)-1-ethyl-4-piperidone
  • 3,5-bis[(4-ethoxyphenyl)methylidene]-1-ethyl-piperidin-4-one
  • (3E,5E)-3,5-bis[(4-ethoxyphenyl)methylidene]-1-ethyl-piperidin-4-one
  • ST020100

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 DNA polymerase eta 0.0045 0.0543 0.0526
Echinococcus multilocularis ewsr:fli fusion protein type 0.001 0.0019 0.0017
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0653 1
Schistosoma mansoni ets-related 0.0216 0.3094 0.3081
Schistosoma mansoni hypothetical protein 0.0017 0.0114 0.0096
Echinococcus granulosus GPCR family 2 0.0017 0.0114 0.0113
Loa Loa (eye worm) hypothetical protein 0.0061 0.0774 0.2497
Echinococcus multilocularis geminin 0.0346 0.5039 0.5038
Loa Loa (eye worm) hypothetical protein 0.001 0.0019 0.0055
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0218 0.0216
Schistosoma mansoni hypothetical protein 0.0017 0.0114 0.0096
Echinococcus granulosus ETS transcription factor Elf 2 0.001 0.0019 0.0017
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0653 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0653 0.2107
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0157 0.1548
Schistosoma mansoni hypothetical protein 0.0346 0.5039 0.503
Brugia malayi hypothetical protein 0.0053 0.0653 0.2111
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0157 0.0155
Schistosoma mansoni cpg binding protein 0.003 0.0308 0.029
Echinococcus multilocularis microtubule associated protein 2 0.0679 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0543 0.1752
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.0543 0.8131
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.001 0.0019 0.0055
Echinococcus multilocularis protein C ets 2 0.001 0.0019 0.0017
Loa Loa (eye worm) hypothetical protein 0.001 0.0019 0.0055
Loa Loa (eye worm) hypothetical protein 0.0036 0.0405 0.1303
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0114 0.037
Schistosoma mansoni hypothetical protein 0.0346 0.5039 0.503
Echinococcus granulosus ETS transcription factor Elf 2 0.001 0.0019 0.0017
Schistosoma mansoni gabp alpha 0.0071 0.0928 0.0911
Echinococcus granulosus geminin 0.0346 0.5039 0.5038
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0157 0.0155
Echinococcus multilocularis ETS domain containing protein Elk 1 0.001 0.0019 0.0017
Schistosoma mansoni cpg binding protein 0.0031 0.0334 0.0316
Echinococcus granulosus ETS transcription factor Elf 1 0.001 0.0019 0.0017
Loa Loa (eye worm) hypothetical protein 0.0017 0.0114 0.0364
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0157 0.1548
Mycobacterium ulcerans arylamine N-acetyltransferase Nat 0.0642 0.945 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0405 0.1308
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0653 0.5
Trypanosoma brucei unspecified product 0.002 0.0157 0.1548
Echinococcus granulosus dna polymerase kappa 0.002 0.0157 0.0155
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0157 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0157 0.1548
Loa Loa (eye worm) ets-domain-containing protein 0.001 0.0019 0.0055
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0218 0.0216
Brugia malayi Ets-domain containing protein 0.0071 0.0928 0.3
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0653 0.5
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.0928 0.2996
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0157 0.1548
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0655 0.2116
Giardia lamblia DINP protein human, muc B family 0.002 0.0157 0.5
Echinococcus granulosus protein C ets 2 0.001 0.0019 0.0017
Brugia malayi Fli-1 protein 0.0216 0.3094 1
Brugia malayi transcription factor E74 isoform 0.001 0.0019 0.006
Leishmania major DNA polymerase eta, putative 0.0045 0.0543 0.7789
Leishmania major DNA polymerase eta, putative 0.0032 0.0342 0.3719
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0114 0.0113
Brugia malayi CXXC zinc finger family protein 0.003 0.0308 0.0997
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0157 0.1548
Echinococcus multilocularis ETS transcription factor Elf 2 0.001 0.0019 0.0017
Loa Loa (eye worm) D-ets-2 protein 0.001 0.0019 0.0055
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0342 0.3719
Echinococcus multilocularis dnaJ subfamily B 0.0423 0.6188 0.6187
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0157 0.0502
Echinococcus granulosus ETS transcription factor Elf 5 0.001 0.0019 0.0017
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0653 0.5
Mycobacterium tuberculosis Arylamine N-acetyltransferase Nat (arylamine acetylase) 0.0642 0.945 1
Schistosoma mansoni hypothetical protein 0.0017 0.0114 0.0096
Echinococcus multilocularis dna polymerase eta 0.0045 0.0543 0.0542
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0114 0.0364
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0157 0.1548
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0114 0.0113
Brugia malayi Ets-domain containing protein 0.0071 0.0928 0.3
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0157 0.1548
Schistosoma mansoni microtubule-associated protein tau 0.0679 1 1
Onchocerca volvulus 0.003 0.0308 0.5
Echinococcus granulosus ewsr:fli fusion protein type 0.001 0.0019 0.0017
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0706 1
Echinococcus granulosus dnaJ subfamily B 0.0423 0.6188 0.6187
Schistosoma mansoni cpg binding protein 0.0031 0.0334 0.0316
Leishmania major hypothetical protein, conserved 0.0053 0.0653 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0157 0.5
Echinococcus multilocularis ETS transcription factor Elf 2 0.001 0.0019 0.0017
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0157 0.0139
Echinococcus multilocularis GPCR, family 2 0.0017 0.0114 0.0113
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0157 0.0508
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.001 0.0019 0.0055
Schistosoma mansoni hypothetical protein 0.0036 0.0405 0.0387
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0157 0.1548
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.0928 0.0926
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0157 0.5
Schistosoma mansoni hypothetical protein 0.0423 0.6188 0.6181
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0157 0.1548
Echinococcus granulosus ETS domain containing protein Elk 1 0.001 0.0019 0.0017
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.0543 0.1757
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0655 0.2116
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0653 0.856
Echinococcus multilocularis ETS transcription factor Elf 5 0.001 0.0019 0.0017
Echinococcus granulosus dna polymerase eta 0.0045 0.0543 0.0542
Echinococcus multilocularis cpg binding protein 0.0031 0.0334 0.0332
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0114 0.037
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0543 0.7789
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0806 0.0789
Loa Loa (eye worm) fli-1 protein 0.0216 0.3094 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0157 0.1548
Brugia malayi hypothetical protein 0.0034 0.0374 0.1208
Echinococcus multilocularis ETS transcription factor Elf 1 0.001 0.0019 0.0017
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0114 0.0113
Brugia malayi Ets-domain containing protein 0.001 0.0019 0.006
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0157 0.1548
Loa Loa (eye worm) hypothetical protein 0.0053 0.0655 0.2111
Schistosoma mansoni hypothetical protein 0.0017 0.0114 0.0096
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0157 0.1548
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0655 0.2111
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0653 1
Echinococcus multilocularis ets variant gene 4 0.001 0.0019 0.0017
Echinococcus granulosus cpg binding protein 0.0031 0.0334 0.0332
Schistosoma mansoni hypothetical protein 0.0024 0.0218 0.02
Brugia malayi DNA-binding protein D-ETS-3 0.001 0.0019 0.006
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0157 0.1548
Echinococcus multilocularis dna polymerase kappa 0.002 0.0157 0.0155
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.0928 0.0926
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0157 0.0139
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0114 0.0113
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0308 0.0992

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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