Detailed information for compound 203019

Basic information

Technical information
  • TDR Targets ID: 203019
  • Name: 2,5-dihydroxy-3-naphthalen-2-yl-6-phenylcyclo hexa-2,5-diene-1,4-dione
  • MW: 342.344 | Formula: C22H14O4
  • H donors: 2 H acceptors: 4 LogP: 4.26 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C(=C(c2ccccc2)C(=O)C(=C1c1ccc2c(c1)cccc2)O)O
  • InChi: 1S/C22H14O4/c23-19-17(14-7-2-1-3-8-14)20(24)22(26)18(21(19)25)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,23,26H
  • InChiKey: HEMZKGQLXULANP-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2,5-dihydroxy-3-(2-naphthyl)-6-phenyl-1,4-benzoquinone
  • 2,5-dihydroxy-3-(2-naphthalenyl)-6-phenyl-1,4-benzoquinone
  • 2,5-dihydroxy-3-naphthalen-2-yl-6-phenyl-cyclohexa-2,5-diene-1,4-dione
  • 2,5-dihydroxy-3-(2-naphthyl)-6-phenyl-p-benzoquinone

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
Brugia malayi Carboxylesterase family protein 0.0148 0.8826 0.8808
Loa Loa (eye worm) hypothetical protein 0.0148 0.8826 0.8808
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0158 1 1
Echinococcus multilocularis insulin receptor 0.0158 1 1
Echinococcus granulosus acetylcholinesterase 0.0148 0.8826 0.8808
Echinococcus granulosus acetylcholinesterase 0.0148 0.8826 0.8808
Echinococcus multilocularis acetylcholinesterase 0.0148 0.8826 0.8808
Echinococcus granulosus carboxylesterase 5A 0.0148 0.8826 0.8808
Loa Loa (eye worm) hypothetical protein 0.0086 0.1777 0.1655
Echinococcus multilocularis acetylcholinesterase 0.0148 0.8826 0.8808
Schistosoma mansoni tyrosine kinase 0.0158 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0148 0.8826 0.8808
Echinococcus granulosus insulin receptor 0.0158 1 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.8826 0.8808
Loa Loa (eye worm) TK/INSR protein kinase 0.0158 1 1
Brugia malayi Protein kinase domain containing protein 0.0087 0.1923 0.1803
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0158 1 1
Schistosoma mansoni tyrosine kinase 0.0072 0.0146 0.0146
Loa Loa (eye worm) carboxylesterase 0.0148 0.8826 0.8808
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0148 0.8826 0.8826
Schistosoma mansoni tyrosine kinase 0.0072 0.0146 0.0146
Brugia malayi Carboxylesterase family protein 0.0148 0.8826 0.8808
Schistosoma mansoni tyrosine kinase 0.0158 1 1
Echinococcus multilocularis carboxylesterase 5A 0.0148 0.8826 0.8808
Schistosoma mansoni tyrosine kinase 0.0072 0.0146 0.0146

Activities

Activity type Activity value Assay description Source Reference
Activation (functional) 0 % Percent insulin like growth factor receptor(IGFIR) activity at 30 uM (NS = less than 5% activation) ChEMBL. 11000003
Activation (functional) 0 % Percent platelet derived growth factor receptor (PDGFR) activity at 30 uM (NS = less than 5% activation) ChEMBL. 11000003
EC50 (binding) = 30 uM Activation of human insulin receptor tyrosine kinase (IRTK) ChEMBL. 11000003
EC50 (binding) = 30 uM Activation of human insulin receptor tyrosine kinase (IRTK) ChEMBL. 11000003

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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