Detailed information for compound 1794653

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 420.501 | Formula: C25H28N2O4
  • H donors: 3 H acceptors: 1 LogP: 4.31 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1OCCNCCC(COc1cccc2c1c1ccccc1[nH]2)O
  • InChi: 1S/C25H28N2O4/c1-29-22-10-4-5-11-23(22)30-16-15-26-14-13-18(28)17-31-24-12-6-9-21-25(24)19-7-2-3-8-20(19)27-21/h2-12,18,26-28H,13-17H2,1H3
  • InChiKey: VBBGWGDRJBZUHP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 Glycogen phosphorylase homolog 0.0224 1 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0 0.5
Echinococcus multilocularis Glycosyl transferase, family 35 0.0224 1 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0097 0.3741 0.3741
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0097 0.3741 1
Leishmania major DNA polymerase kappa, putative 0.0021 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.0224 1 1
Schistosoma mansoni glycogen phosphorylase 0.0224 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0 0.5
Giardia lamblia Glycogen phosphorylase 0.0224 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0 0.5
Echinococcus multilocularis glycogen phosphorylase 0.0224 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0 0.5
Trichomonas vaginalis glycogen phosphorylase, putative 0.0224 1 1
Echinococcus granulosus glycogen phosphorylase 0.0224 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0 0.5
Leishmania major DNA polymerase eta, putative 0.0021 0 0.5
Schistosoma mansoni glycogen phosphorylase 0.0224 1 1
Loa Loa (eye worm) glycogen phosphorylase 0.0224 1 1
Echinococcus granulosus glycogen phosphorylase 0.0224 1 1
Entamoeba histolytica glycogenphosphorylase, putative 0.0097 0.3741 0.3741
Chlamydia trachomatis glycogen phosphorylase 0.0224 1 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0 0.5
Echinococcus granulosus Glycosyl transferase family 35 0.0224 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.0224 1 1
Echinococcus multilocularis glycogen phosphorylase 0.0224 1 1
Trypanosoma brucei unspecified product 0.0021 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0 0.5
Trichomonas vaginalis glycogen phosphorylase, putative 0.0224 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0 0.5
Schistosoma mansoni glycogen phosphorylase 0.0097 0.3741 0.3741
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0097 0.3741 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.0097 0.3741 0.3741
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0 0.5

Activities

No activities found for this compound.

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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