Detailed information for compound 379251

Basic information

Technical information
  • TDR Targets ID: 379251
  • Name: ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylme thoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoa te
  • MW: 935.065 | Formula: C60H54O10
  • H donors: 0 H acceptors: 2 LogP: 12.78 Rotable bonds: 25
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC(=O)c1cc(OCc2ccccc2)c(c(c1c1c(cc(c(c1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)C(=O)OCC)OCc1ccccc1)OCc1ccccc1
  • InChi: 1S/C60H54O10/c1-3-63-59(61)49-35-51(65-37-43-23-11-5-12-24-43)55(67-39-45-27-15-7-16-28-45)57(69-41-47-31-19-9-20-32-47)53(49)54-50(60(62)64-4-2)36-52(66-38-44-25-13-6-14-26-44)56(68-40-46-29-17-8-18-30-46)58(54)70-42-48-33-21-10-22-34-48/h5-36H,3-4,37-42H2,1-2H3
  • InChiKey: XSJRLHZLEFNPLR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 3,4,5-tribenzyloxy-2-(2,3,4-tribenzyloxy-6-ethoxycarbonyl-phenyl)benzoate
  • 3,4,5-tribenzyloxy-2-(2,3,4-tribenzyloxy-6-ethoxycarbonylphenyl)benzoic acid ethyl ester
  • 3,4,5-tribenzoxy-2-(2,3,4-tribenzoxy-6-carbethoxy-phenyl)benzoic acid ethyl ester
  • 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoic acid ethyl ester
  • 3,4,5-tris(benzyloxy)-2-[2,3,4-tris(benzyloxy)-6-carbethoxy-phenyl]benzoic acid ethyl ester

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 Basic leucine zipper (bZIP) transcription factor 0.0081 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.3717 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.3717 0.4681
Echinococcus multilocularis jun protein 0.0081 1 1
Brugia malayi hypothetical protein 0.0064 0.7639 0.7639
Brugia malayi hypothetical protein 0.0035 0.3717 0.3717
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0081 1 1
Schistosoma mansoni jun-related protein 0.0066 0.7941 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.3717 0.4681
Onchocerca volvulus 0.0064 0.7639 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.3717 0.3717
Schistosoma mansoni hypothetical protein 0.0066 0.7941 1
Entamoeba histolytica hypothetical protein 0.0035 0.3717 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.3717 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.3717 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.9699 1
Echinococcus granulosus jun protein 0.0081 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.3717 0.3717

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 19 uM Inhibition of c-AMP dependent kinase (PKA) catalytic subunit ChEMBL. 8289196
IC50 (binding) = 50 uM Inhibitory activity against protein kinase C of rat brain ChEMBL. 8289196
IC50 (binding) = 50 uM Inhibitory activity against protein kinase C of rat brain ChEMBL. 8289196
IC50 (binding) = 75 uM Inhibitory activity against protein kinase C of rat brain ChEMBL. 8289196
IC50 (binding) = 75 uM Inhibitory activity against protein kinase C of rat brain ChEMBL. 8289196
IC50 (binding) = 96 uM Inhibitory activity against protein kinase C of rat brain ChEMBL. 8289196
IC50 (binding) = 96 uM Inhibitory activity against protein kinase C of rat brain ChEMBL. 8289196
IC50 (binding) > 272 uM Displacement of [3H]-PDBU from protein kinase C ChEMBL. 8289196
IC50 (binding) > 272 uM Displacement of [3H]-PDBU from protein kinase C ChEMBL. 8289196

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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