Detailed information for compound 1161275

Basic information

Technical information
  • TDR Targets ID: 1161275
  • Name: (E)-3-(2,4-dimethylphenyl)-1-[(3R,4R)-4-[(E)- 2-(2,4-dimethylphenyl)ethenyl]-1-ethyl-4-hydr oxypiperidin-3-yl]prop-2-en-1-one
  • MW: 417.583 | Formula: C28H35NO2
  • H donors: 1 H acceptors: 2 LogP: 5.86 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CC[C@@]([C@@H](C1)C(=O)/C=C/c1ccc(cc1C)C)(O)/C=C/c1ccc(cc1C)C
  • InChi: 1S/C28H35NO2/c1-6-29-16-15-28(31,14-13-25-10-8-21(3)18-23(25)5)26(19-29)27(30)12-11-24-9-7-20(2)17-22(24)4/h7-14,17-18,26,31H,6,15-16,19H2,1-5H3/b12-11+,14-13+/t26-,28-/m0/s1
  • InChiKey: XGWSLIVZCZEDGK-PNJRHZIHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-3-(2,4-dimethylphenyl)-1-[(3R,4R)-4-[(E)-2-(2,4-dimethylphenyl)vinyl]-1-ethyl-4-hydroxy-3-piperidyl]prop-2-en-1-one
  • (E)-3-(2,4-dimethylphenyl)-1-[(3R,4R)-4-[(E)-2-(2,4-dimethylphenyl)vinyl]-1-ethyl-4-hydroxy-3-piperidinyl]prop-2-en-1-one
  • (E)-3-(2,4-dimethylphenyl)-1-[(3R,4R)-4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-ethyl-4-hydroxy-piperidin-3-yl]prop-2-en-1-one

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
Plasmodium falciparum cation/H+ antiporter 0.0255 0.0224 0.5
Loa Loa (eye worm) hypothetical protein 0.0255 0.0224 0.0224
Loa Loa (eye worm) solute carrier family 8 1.0095 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0015 0.0015
Loa Loa (eye worm) Na/Ca eXchangers family member 0.0255 0.0224 0.0224
Schistosoma mansoni hypothetical protein 0.0033 0.0004 0.0004
Echinococcus multilocularis microtubule associated protein 2 0.067 0.0637 0.0637
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0019 0.0019
Schistosoma mansoni microtubule-associated protein tau 0.067 0.0637 0.0637
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0048 0.0019 0.0019
Toxoplasma gondii manganese resistance 1 protein, putative 0.0255 0.0224 1
Echinococcus granulosus sodium:potassium:calcium exchanger 0.0255 0.0224 0.0224
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0015 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0255 0.0224 0.0159
Brugia malayi Sodium/calcium exchanger protein 0.4038 0.3983 1
Brugia malayi MH2 domain containing protein 0.0116 0.0086 0.0217
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0004
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0255 0.0224 0.0224
Echinococcus multilocularis sodium:potassium:calcium exchanger 0.0255 0.0224 0.0224
Trichomonas vaginalis conserved hypothetical protein 0.0255 0.0224 0.0159
Plasmodium vivax cation/H+ antiporter, putative 0.0255 0.0224 1
Loa Loa (eye worm) hypothetical protein 0.0255 0.0224 0.0224
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0015 0.0039
Brugia malayi K+-dependent Na+/Ca+ exchanger related-protein 0.0255 0.0224 0.0563
Brugia malayi Pre-SET motif family protein 0.0202 0.0172 0.0432
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0015 0.0015
Echinococcus granulosus sodium:potassium:calcium exchanger 6 0.0255 0.0224 0.0224
Schistosoma mansoni na/ca exchanger 0.0255 0.0224 0.0224
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0015 0.0015
Onchocerca volvulus Sodium\/potassium\/calcium exchanger 0.0255 0.0224 1
Echinococcus granulosus microtubule associated protein 2 0.067 0.0637 0.0637
Treponema pallidum hypothetical protein 0.0255 0.0224 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0255 0.0224 0.0159
Schistosoma mansoni hypothetical protein 0.0255 0.0224 0.0224
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0015 0.0015
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0086 0.0086
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0086 0.0086
Echinococcus multilocularis sodium calcium exchanger 1.0095 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0019 0.0048
Echinococcus multilocularis sodium:potassium:calcium exchanger 6 0.0255 0.0224 0.0224
Mycobacterium tuberculosis Probable ionic transporter integral membrane protein ChaA 0.0255 0.0224 0.5
Trichomonas vaginalis alpha-L-fucosidase, putative 0.1781 0.174 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0015 0.0015
Schistosoma mansoni sodium/calcium exchanger 1.0095 1 1
Onchocerca volvulus 0.023 0.02 0.8908
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0004 0.001
Loa Loa (eye worm) hypothetical protein 0.0255 0.0224 0.0224
Entamoeba histolytica sodium/calcium exchanger protein, putative 0.0255 0.0224 0.5
Mycobacterium leprae Probable ionic transporter integral membrane protein ChaA 0.0255 0.0224 0.5
Loa Loa (eye worm) hypothetical protein 0.4038 0.3983 0.3983
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0019 0.0048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0015 0.0015
Trichomonas vaginalis alpha-L-fucosidase, putative 0.1781 0.174 1
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0255 0.0224 0.0224
Brugia malayi Na/Ca eXchangers family member (ncx-4) 0.0255 0.0224 0.0563

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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