Detailed information for compound 236107

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 258.359 | Formula: C16H22N2O
  • H donors: 2 H acceptors: 1 LogP: 2.33 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCNCCCCCCC(=O)Nc1ccccc1
  • InChi: 1S/C16H22N2O/c1-2-13-17-14-9-4-3-8-12-16(19)18-15-10-6-5-7-11-15/h1,5-7,10-11,17H,3-4,8-9,12-14H2,(H,18,19)
  • InChiKey: ULBZNPVVOVHESJ-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
Giardia lamblia Prenyltransferase 0.0021 0 0.5
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.0021 0 0.5
Trypanosoma brucei lanosterol synthase 0.0153 0.3406 0.3406
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.0021 0 0.5
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0021 0 0.5
Trypanosoma cruzi squalene monooxygenase, putative 0.0409 1 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0021 0 0.5
Brugia malayi ecdysteroid receptor 0.0164 0.3695 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.3695 1
Leishmania major lanosterol synthase, putative 0.0132 0.2866 0.2866
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0021 0 0.5
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0021 0 0.5
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0021 0 0.5
Trypanosoma cruzi lanosterol synthase, putative 0.0153 0.3406 0.3406
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0021 0 0.5
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0085 0.1644 0.5
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0021 0 0.5
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0021 0 0.5
Plasmodium falciparum geranylgeranyltransferase, putative 0.0021 0 0.5
Trypanosoma brucei squalene monooxygenase, putative 0.0409 1 1
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.0021 0 0.5
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0021 0 0.5
Trypanosoma cruzi lanosterol synthase, putative 0.0153 0.3406 0.3406
Trypanosoma cruzi squalene monooxygenase, putative 0.0409 1 1
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0021 0 0.5
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0021 0 0.5
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0021 0 0.5
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0021 0 0.5
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0021 0 0.5
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0021 0 0.5
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0021 0 0.5
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0021 0 0.5
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0021 0 0.5
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.0021 0 0.5
Plasmodium vivax geranylgeranyltransferase, putative 0.0021 0 0.5
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0021 0 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0164 0.3695 0.5
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0021 0 0.5
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0021 0 0.5
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0021 0 0.5
Giardia lamblia Rab geranylgeranyltransferase 0.0021 0 0.5
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0021 0 0.5
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0021 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM In vitro inhibitory activity against histone deacetylase (HDAC) isolated from HeLa nuclear extract ChEMBL. 14643318
IC50 (binding) > 100 uM In vitro inhibitory activity against histone deacetylase (HDAC) isolated from HeLa nuclear extract ChEMBL. 14643318
Inhibition (binding) = 16 % In vitro inhibitory activity against histone deacetylase (HDAC) isolated from HeLa nuclear extract at a concentration of 100 uM ChEMBL. 14643318
Inhibition (binding) = 16 % In vitro inhibitory activity against histone deacetylase (HDAC) isolated from HeLa nuclear extract at a concentration of 100 uM ChEMBL. 14643318

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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