Detailed information for compound 328884

Basic information

Technical information
  • TDR Targets ID: 328884
  • Name: 3-[3-[3-(3-hydroxy-2,2-dimethyl-3-oxopropyl)p henoxy]phenyl]-2,2-dimethylpropanoic acid
  • MW: 370.439 | Formula: C22H26O5
  • H donors: 2 H acceptors: 4 LogP: 4.83 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(Cc1cccc(c1)Oc1cccc(c1)CC(C(=O)O)(C)C)(C)C
  • InChi: 1S/C22H26O5/c1-21(2,19(23)24)13-15-7-5-9-17(11-15)27-18-10-6-8-16(12-18)14-22(3,4)20(25)26/h5-12H,13-14H2,1-4H3,(H,23,24)(H,25,26)
  • InChiKey: OFBNQUCEWPPVMC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[3-[3-(3-hydroxy-2,2-dimethyl-3-oxo-propyl)phenoxy]phenyl]-2,2-dimethyl-propanoic acid
  • 3-[3-[3-(3-hydroxy-3-keto-2,2-dimethyl-propyl)phenoxy]phenyl]-2,2-dimethyl-propionic acid

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
Echinococcus multilocularis jun protein 0.0171 0.3029 0.3029
Loa Loa (eye worm) hypothetical protein 0.0047 0.0696 0.2366
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0047 0.0696 0.2366
Schistosoma mansoni ankyrin 23/unc44 0.0047 0.0696 0.2868
Entamoeba histolytica hypothetical protein 0.0036 0.0489 0.5
Schistosoma mansoni hypothetical protein 0.0139 0.2426 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0489 0.0489
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0489 0.2016
Schistosoma mansoni hypothetical protein 0.0036 0.0489 0.2016
Brugia malayi hypothetical protein 0.0134 0.2338 0.7717
Schistosoma mansoni netrin receptor unc5 0.0047 0.0696 0.2868
Entamoeba histolytica hypothetical protein 0.0036 0.0489 0.5
Loa Loa (eye worm) hypothetical protein 0.0167 0.2941 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0489 0.0489
Brugia malayi Protein kinase domain containing protein 0.0048 0.0707 0.2335
Schistosoma mansoni hypothetical protein 0.0047 0.0696 0.2868
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0047 0.0696 0.0696
Echinococcus granulosus jun protein 0.0171 0.3029 0.3029
Onchocerca volvulus Netrin receptor homolog 0.0047 0.0696 0.2976
Entamoeba histolytica hypothetical protein 0.0036 0.0489 0.5
Schistosoma mansoni jun-related protein 0.0139 0.2426 1
Brugia malayi Uncoordinated protein 44 0.0047 0.0696 0.2297
Brugia malayi hypothetical protein 0.0036 0.0489 0.1614
Echinococcus multilocularis Ankyrin 0.0047 0.07 0.07
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0047 0.0696 0.0696
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0542 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0171 0.3029 0.3029
Echinococcus multilocularis netrin receptor unc 5 0.0047 0.0696 0.0696
Entamoeba histolytica hypothetical protein 0.0036 0.0489 0.5
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0047 0.07 0.2887
Echinococcus granulosus death domain containing protein 0.0047 0.0696 0.0696
Brugia malayi Death domain containing protein 0.0047 0.0696 0.2297
Echinococcus granulosus netrin receptor unc 5 0.0047 0.0696 0.0696
Echinococcus granulosus Ankyrin 0.0047 0.07 0.07
Onchocerca volvulus 0.0134 0.2338 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0047 0.0696 0.2297
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0171 0.3029 0.3029
Brugia malayi bZIP transcription factor family protein 0.0171 0.3029 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.07 0.2382

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = -59 % Percent change from pre-treatment Non HDL-Cholesterol level at 100 mg/Kg after 1 week ChEMBL. 15456261
Change (functional) = -46 % Percent change from pre-treatment triglycerides level at 100 mg/Kg after 1 week ChEMBL. 15456261
Change (functional) = -27 % Percent change from pre-treatment triglycerides level at 100 mg/Kg after 2 weeks ChEMBL. 15456261
Change (functional) = -21 % Percent change from pre-treatment Non HDL-Cholesterol level at 100 mg/Kg after 2 weeks ChEMBL. 15456261
Change (functional) = 16 % Percent change from pre-treatment HDL-Cholesterol level at 100 mg/Kg after 2 weeks ChEMBL. 15456261
Change (functional) = 20 % Percent change from pre-treatment HDL-Cholesterol level at 100 mg/Kg after 1 week ChEMBL. 15456261
IC50 (functional) = 53 uM In vitro inhibitory concentration of the compound against lipid synthesis in primary rat hepatocyte culture ChEMBL. 15456261

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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