Detailed information for compound 1821002

Basic information

Technical information
  • TDR Targets ID: 1821002
  • Name: (1E,4E)-5-(4-methoxyphenyl)-2-methyl-1-phenyl penta-1,4-dien-3-one
  • MW: 278.345 | Formula: C19H18O2
  • H donors: 0 H acceptors: 1 LogP: 4.46 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)/C=C/C(=O)/C(=C/c1ccccc1)/C
  • InChi: 1S/C19H18O2/c1-15(14-17-6-4-3-5-7-17)19(20)13-10-16-8-11-18(21-2)12-9-16/h3-14H,1-2H3/b13-10+,15-14+
  • InChiKey: PVPTXCKWQPHINX-HFEXRDJISA-N  

Network

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Synonyms

  • (1E,4E)-5-(4-methoxyphenyl)-2-methyl-1-phenyl-penta-1,4-dien-3-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
Onchocerca volvulus 0.0229754 0.138129 1
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0229754 0.138129 1
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0229754 0.138129 1
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0229754 0.138129 1
Loa Loa (eye worm) hypothetical protein 0.014504 0.0574518 0.415928
Echinococcus granulosus serine:threonine protein kinase Chk2 0.113475 1 1
Loa Loa (eye worm) hypothetical protein 0.0229754 0.138129 1
Onchocerca volvulus 0.0229754 0.138129 1
Entamoeba histolytica protein kinase, putative 0.113475 1 0.5
Entamoeba histolytica protein kinase, putative 0.113475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.014504 0.0574518 0.415928
Brugia malayi hypothetical protein 0.014504 0.0574518 0.415928
Schistosoma mansoni serine/threonine protein kinase 0.113475 1 0.5
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.014504 0.0574518 0.415928
Loa Loa (eye worm) hypothetical protein 0.014504 0.0574518 0.415928
Loa Loa (eye worm) hypothetical protein 0.014504 0.0574518 0.415928
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.113475 1 1
Brugia malayi hypothetical protein 0.014504 0.0574518 0.415928
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0229754 0.138129 1
Onchocerca volvulus 0.014504 0.0574518 0.415928
Onchocerca volvulus 0.0229754 0.138129 1
Loa Loa (eye worm) hypothetical protein 0.014504 0.0574518 0.415928
Onchocerca volvulus 0.0229754 0.138129 1
Onchocerca volvulus 0.014504 0.0574518 0.415928
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.014504 0.0574518 0.415928
Trichomonas vaginalis conserved hypothetical protein 0.00847138 0 0.5
Onchocerca volvulus 0.0229754 0.138129 1
Onchocerca volvulus 0.0229754 0.138129 1
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.014504 0.0574518 0.415928
Onchocerca volvulus 0.0229754 0.138129 1
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.014504 0.0574518 0.415928
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.014504 0.0574518 0.415928
Onchocerca volvulus 0.0229754 0.138129 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 100 uM Antiparasitic activity against trypomastigote form of Trypanosoma cruzi Y infected in LLCMK2 cells assessed as parasite lysis after 24 hrs by Pizzi-Brener method ChEMBL. 24398381
IC50 (functional) = 14.3 uM Antiparasitic activity against epimastigote form of Trypanosoma cruzi Y after 96 hrs by hemocytometry ChEMBL. 24398381

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma cruzi ChEMBL23 24398381

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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