Detailed information for compound 830909

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 402.529 | Formula: C26H30N2O2
  • H donors: 2 H acceptors: 2 LogP: 3.67 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=Cc1ccc(cc1)Cn1c2ccccc2c(c1C(=O)O)CNC1CCCCCC1
  • InChi: 1S/C26H30N2O2/c1-2-19-13-15-20(16-14-19)18-28-24-12-8-7-11-22(24)23(25(28)26(29)30)17-27-21-9-5-3-4-6-10-21/h2,7-8,11-16,21,27H,1,3-6,9-10,17-18H2,(H,29,30)
  • InChiKey: JRJINGMZECUVCR-UHFFFAOYSA-N  

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
Echinococcus granulosus geminin 0.0148 0.8275 0.8275
Plasmodium vivax histone deacetylase 1, putative 0.0173 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.2517 0.2517
Trichomonas vaginalis histone deacetylase, putative 0.0173 1 0.5
Echinococcus granulosus histone deacetylase 7 0.0133 0.7275 0.7275
Leishmania major histone deacetylase, putative 0.0173 1 1
Loa Loa (eye worm) hypothetical protein 0.0173 1 1
Echinococcus granulosus histone deacetylase 6 0.0133 0.7275 0.7275
Echinococcus multilocularis histone deacetylase 8 0.0069 0.2848 0.2848
Trypanosoma cruzi histone deacetylase, putative 0.0133 0.7275 0.619
Loa Loa (eye worm) histone deacetylase 11 0.0069 0.2848 0.2848
Schistosoma mansoni histone deacetylase 0.0173 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0075 0.3259 0.3259
Loa Loa (eye worm) histone deacetylase 0.0133 0.7275 0.7275
Trichomonas vaginalis histone deacetylase, putative 0.0173 1 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0173 1 0.5
Brugia malayi histone deacetylase 1 (HD1) 0.0173 1 1
Giardia lamblia Histone deacetylase 0.0173 1 0.5
Leishmania major histone deacetylase, putative 0.0173 1 1
Echinococcus granulosus histone deacetylase 8 0.0069 0.2848 0.2848
Echinococcus multilocularis histone deacetylase 6 0.0133 0.7275 0.7275
Schistosoma mansoni histone deacetylase 0.0173 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0133 0.7275 0.619
Trypanosoma brucei histone deacetylase 3 0.0133 0.7275 0.619
Loa Loa (eye worm) histone deacetylase 3 0.0173 1 1
Trypanosoma brucei histone deacetylase, putative 0.0133 0.7275 0.619
Trypanosoma cruzi histone deacetylase, putative 0.0133 0.7275 0.619
Loa Loa (eye worm) hypothetical protein 0.0069 0.2848 0.2848
Echinococcus multilocularis histone deacetylase 1 0.0173 1 1
Toxoplasma gondii histone deacetylase HDAC3 0.0173 1 1
Schistosoma mansoni histone deacetylase hda2 0.014 0.776 0.776
Echinococcus multilocularis geminin 0.0148 0.8275 0.8275
Plasmodium vivax histone deacetylase, putative 0.0133 0.7275 0.619
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0075 0.3259 0.3259
Trypanosoma brucei histone deacetylase 1 0.0173 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0047 0.1348 0.1348
Echinococcus multilocularis histone deacetylase 6 0.014 0.776 0.776
Plasmodium vivax histone deacetylase 2, putative 0.0133 0.7275 0.619
Schistosoma mansoni histone deacetylase 4 5 0.0133 0.7275 0.7275
Echinococcus granulosus histone deacetylase 1 0.0173 1 1
Brugia malayi jmjC domain containing protein 0.0075 0.3259 0.3259
Echinococcus multilocularis histone deacetylase 3 0.0173 1 1
Toxoplasma gondii histone deacetylase HDAC1 0.0133 0.7275 0.619
Schistosoma mansoni histone deacetylase hda2 0.0069 0.2848 0.2848
Echinococcus multilocularis jumonji domain containing protein 0.0032 0.0286 0.0286
Loa Loa (eye worm) histone deacetylase 1 0.0173 1 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0069 0.2848 0.2848
Echinococcus granulosus jumonji domain containing protein 0.0032 0.0286 0.0286
Brugia malayi Histone deacetylase family protein 0.0133 0.7275 0.7275
Schistosoma mansoni histone deacetylase 4 5 0.0133 0.7275 0.7275
Loa Loa (eye worm) histone deacetylase 7A 0.0133 0.7275 0.7275
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0173 1 0.5
Trypanosoma brucei histone deacetylase 4 0.0133 0.7275 0.619
Echinococcus granulosus histone deacetylase 6 0.014 0.776 0.776
Entamoeba histolytica histone deacetylase, putative 0.0173 1 0.5
Brugia malayi Histone deacetylase 1 0.0173 1 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0069 0.2848 0.5
Schistosoma mansoni hypothetical protein 0.0148 0.8275 0.8275
Echinococcus multilocularis histone deacetylase 7 0.0133 0.7275 0.7275
Echinococcus granulosus histone deacetylase 6 0.0133 0.7275 0.7275
Echinococcus granulosus histone deacetylase 3 0.0173 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0173 1 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0173 1 0.5
Trypanosoma cruzi histone deacetylase 1, putative 0.0173 1 1
Schistosoma mansoni jumonji domain containing protein 0.006 0.2196 0.2196
Schistosoma mansoni hypothetical protein 0.0148 0.8275 0.8275
Echinococcus multilocularis histone deacetylase 6 0.0133 0.7275 0.7275
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0173 1 0.5
Toxoplasma gondii histone deacetylase HDAC2 0.0173 1 1
Brugia malayi Histone deacetylase family protein 0.0133 0.7275 0.7275
Echinococcus multilocularis histone deacetylase 0.0133 0.7275 0.7275
Loa Loa (eye worm) hypothetical protein 0.0039 0.0795 0.0795
Loa Loa (eye worm) hypothetical protein 0.0071 0.3002 0.3002
Brugia malayi histone deacetylase 11 0.0069 0.2848 0.2848
Trypanosoma cruzi histone deacetylase 1, putative 0.0173 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0173 1 0.5
Plasmodium falciparum histone deacetylase 1 0.0173 1 1
Echinococcus granulosus histone deacetylase 0.0133 0.7275 0.7275
Trichomonas vaginalis histone deacetylase, putative 0.0173 1 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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