Detailed information for compound 1523498

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 372.422 | Formula: C20H27F3O3
  • H donors: 1 H acceptors: 3 LogP: 5.34 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCCC(=O)O)/C=C/C=C\C/C=C\C/C=C\CCCCC(F)(F)F
  • InChi: 1S/C20H27F3O3/c21-20(22,23)17-12-10-8-6-4-2-1-3-5-7-9-11-14-18(24)15-13-16-19(25)26/h1,3-4,6-7,9,11,14H,2,5,8,10,12-13,15-17H2,(H,25,26)/b3-1-,6-4-,9-7-,14-11+
  • InChiKey: SBQJZSWQMQYGNB-MEMKJMHRSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens oxoeicosanoid (OXE) receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi hypothetical protein oxoeicosanoid (OXE) receptor 1 423 aa 363 aa 22.0 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0036 0.3104 0.401
Echinococcus granulosus nuclear factor of activated T cells 5 0.0073 0.8515 0.8515
Brugia malayi hypothetical protein 0.0036 0.3104 0.3104
Echinococcus granulosus Ankyrin 0.0014 0.0018 0.0018
Onchocerca volvulus 0.0066 0.7409 0.5
Echinococcus multilocularis jun protein 0.0084 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.3104 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.9669 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.3104 0.401
Brugia malayi hypothetical protein 0.0066 0.7409 0.7409
Entamoeba histolytica hypothetical protein 0.0036 0.3104 0.5
Schistosoma mansoni hypothetical protein 0.0068 0.774 1
Echinococcus granulosus jun protein 0.0084 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.3104 0.3104
Echinococcus multilocularis Ankyrin 0.0014 0.0018 0.0018
Entamoeba histolytica hypothetical protein 0.0036 0.3104 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0084 1 1
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0014 0.0018 0.0023
Schistosoma mansoni jun-related protein 0.0068 0.774 1
Entamoeba histolytica hypothetical protein 0.0036 0.3104 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.3104 0.3104
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0073 0.8515 0.8515
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0084 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Agonist activity at 5-oxo-ETE receptor in indo-1-labeled human neutrophils assessed as stimulation intracellular calcium level at 100 nM followed by 5-oxo-ETE addition at 2.5 mins in presence of digitonin added at 3.5 mins ChEMBL. 21377873
IC50 (functional) = 7.5 nM Desensitization of 5-oxo-ETE receptor in indo-1-labeled human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization ChEMBL. 21377873

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

1 literature reference was collected for this gene.

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