Detailed information for compound 1683615

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 359.686 | Formula: C16H20BrClO2
  • H donors: 0 H acceptors: 1 LogP: 6.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCC1CC(=O)c2c(O1)c(Br)cc(c2)Cl
  • InChi: 1S/C16H20BrClO2/c1-2-3-4-5-6-7-12-10-15(19)13-8-11(18)9-14(17)16(13)20-12/h8-9,12H,2-7,10H2,1H3
  • InChiKey: HXSDZOWDQNQBIY-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
Leishmania major developmentally regulated phosphoprotein-like protein 0.026 1 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0135 0.3842 0.2713
Brugia malayi Histone deacetylase family protein 0.0099 0.2082 0.063
Echinococcus granulosus histone deacetylase 6 0.0099 0.2082 0.063
Loa Loa (eye worm) hypothetical protein 0.0062 0.0303 0.0303
Brugia malayi Histone deacetylase family protein 0.0099 0.2082 0.063
Trypanosoma brucei developmentally regulated phosphoprotein 0.026 1 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.026 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0099 0.2082 0.063
Schistosoma mansoni histone deacetylase 4 5 0.0099 0.2082 0.063
Schistosoma mansoni pyruvate dehydrogenase 0.0245 0.929 0.916
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0135 0.3842 0.2713
Echinococcus multilocularis histone deacetylase 7 0.0099 0.2082 0.063
Echinococcus multilocularis histone deacetylase 6 0.0105 0.2385 0.0988
Echinococcus multilocularis chromatin regulatory protein sir2 0.0135 0.3842 0.2713
Loa Loa (eye worm) hypothetical protein 0.0088 0.1549 0.1549
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0135 0.3842 0.2713
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0135 0.3842 0.2713
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.026 1 1
Schistosoma mansoni pyruvate dehydrogenase 0.0245 0.929 0.916
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0091 0.1696 0.0173
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0135 0.3842 0.8832
Loa Loa (eye worm) histone deacetylase 1 0.0088 0.1549 0.1549
Schistosoma mansoni pyruvate dehydrogenase 0.026 1 1
Echinococcus granulosus chromatin regulatory protein sir2 0.0135 0.3842 0.2713
Plasmodium vivax histone deacetylase, putative 0.0099 0.2082 1
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0091 0.1696 0.0173
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0105 0.2406 1
Loa Loa (eye worm) transcriptional regulator 0.0135 0.3842 0.3842
Echinococcus multilocularis histone deacetylase 0.0099 0.2082 0.063
Brugia malayi transcriptional regulator, Sir2 family protein 0.0135 0.3842 0.2713
Plasmodium falciparum histone deacetylase 2 0.0099 0.2082 1
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0091 0.1696 0.1711
Schistosoma mansoni histone deacetylase 4 5 0.0099 0.2082 0.063
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.026 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0099 0.2082 0.063
Echinococcus granulosus histone deacetylase 7 0.0099 0.2082 0.063
Echinococcus multilocularis histone deacetylase 6 0.0099 0.2082 0.063
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0141 0.4145 1
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0135 0.3842 0.2713
Schistosoma mansoni chromatin regulatory protein sir2 0.0135 0.3842 0.2713
Trypanosoma brucei histone deacetylase, putative 0.0099 0.2082 0.063
Leishmania major histone deacetylase, putative 0.0099 0.2082 0.063
Echinococcus granulosus histone deacetylase 6 0.0105 0.2385 0.0988
Plasmodium vivax histone deacetylase 2, putative 0.0099 0.2082 1
Trypanosoma brucei histone deacetylase 4 0.0099 0.2082 0.063
Leishmania major histone deacetylase, putative 0.0099 0.2082 0.063
Schistosoma mansoni histone deacetylase hda2 0.0105 0.2385 0.0988
Loa Loa (eye worm) histone deacetylase 0.0099 0.2082 0.2082
Loa Loa (eye worm) histone deacetylase 3 0.0088 0.1549 0.1549
Toxoplasma gondii histone deacetylase HDAC1 0.0099 0.2082 0.6211
Echinococcus granulosus histone deacetylase 0.0099 0.2082 0.063
Trypanosoma brucei histone deacetylase 3 0.0099 0.2082 0.063
Loa Loa (eye worm) histone deacetylase 7A 0.0099 0.2082 0.2082
Giardia lamblia Hypothetical protein 0.0135 0.3842 1
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0091 0.1696 0.0173
Plasmodium falciparum histone deacetylase, putative 0.0099 0.2082 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.026 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0135 0.3842 1
Echinococcus granulosus histone deacetylase 6 0.0099 0.2082 0.063
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0135 0.3842 0.2713
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0135 0.3842 1
Echinococcus multilocularis histone deacetylase 6 0.0099 0.2082 0.063
Trypanosoma cruzi histone deacetylase, putative 0.0099 0.2082 0.063
Schistosoma mansoni chromatin regulatory protein sir2 0.0135 0.3842 0.2713
Loa Loa (eye worm) hypothetical protein 0.026 1 1
Leishmania major silent information regulator 2, putative 0.0135 0.3842 0.2713

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 57 % Inhibition of human recombinant GST-tagged SIRT2 preincubated at 200 uM for 5 mins measured after 1 hr by Fluor de Lys-based fluorescence assay ChEMBL. 22746324

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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