Detailed information for compound 1734294

Basic information

Technical information
  • TDR Targets ID: 1734294
  • Name: (2E,6E,13E)-11,15-dihydroxy-1-(5-hydroxy-2-me thoxy-3-methylphenyl)-3,7,11,15-tetramethylhe xadeca-2,6,13-triene-5,12-dione
  • MW: 472.614 | Formula: C28H40O6
  • H donors: 3 H acceptors: 5 LogP: 4.6 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(C/C=C(/CC(=O)/C=C(/CCCC(C(=O)/C=C/C(O)(C)C)(O)C)\C)\C)cc(cc1C)O
  • InChi: 1S/C28H40O6/c1-19(9-8-13-28(6,33)25(31)12-14-27(4,5)32)15-23(29)16-20(2)10-11-22-18-24(30)17-21(3)26(22)34-7/h10,12,14-15,17-18,30,32-33H,8-9,11,13,16H2,1-7H3/b14-12+,19-15+,20-10+
  • InChiKey: XCPRSBVYFBCRJC-PDAIFWRYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2E,6E,13E)-11,15-dihydroxy-1-(5-hydroxy-2-methoxy-3-methyl-phenyl)-3,7,11,15-tetramethyl-hexadeca-2,6,13-triene-5,12-dione

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 a disintegrin and metalloproteinase with 0.6125 0.3671 0.0436
Onchocerca volvulus Matrix metalloproteinase homolog 0.3546 0.1405 1
Mycobacterium leprae PROBABLE HYDROLASE 0.1947 0 0.5
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.7202 0.4617 0.1939
Brugia malayi Hemopexin family protein 0.2267 0.0281 0.0765
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.6125 0.3671 0.3604
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.7202 0.4617 0.1847
Echinococcus granulosus a disintegrin and metalloproteinase with 0.6125 0.3671 0.0415
Echinococcus multilocularis adam 17 protease 1.2971 0.9688 1
Onchocerca volvulus Matrilysin homolog 0.3546 0.1405 1
Brugia malayi Matrixin family protein 0.3866 0.1686 0.4592
Schistosoma mansoni ADAM17 peptidase (M12 family) 1.2971 0.9688 1
Loa Loa (eye worm) hypothetical protein 1.2457 0.9235 1
Loa Loa (eye worm) matrixin family protein 0.3866 0.1686 0.1826
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.1947 0 0.5
Loa Loa (eye worm) matrixin family protein 0.3546 0.1405 0.1521
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.6125 0.3671 1
Mycobacterium ulcerans hydrolase 0.1947 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 64 % Antiinflammatory activity in PMA-treated human THP1 cells assessed as inhibition of LPS-induced TNFalpha production at 10 uM incubated for 24 hrs prior to LPS challenge measured after 24 hrs by ELISA relative to control ChEMBL. 23458950

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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