Detailed information for compound 178790

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 344.405 | Formula: C19H24N2O4
  • H donors: 1 H acceptors: 3 LogP: 2.36 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1c(=O)on(c1C)C(=O)N1CCC(CC1)(O)c1ccccc1)C
  • InChi: 1S/C19H24N2O4/c1-13(2)16-14(3)21(25-17(16)22)18(23)20-11-9-19(24,10-12-20)15-7-5-4-6-8-15/h4-8,13,24H,9-12H2,1-3H3
  • InChiKey: SILUHPKLQGKATN-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Hormone-sensitive lipase Starlite/ChEMBL References
Homo sapiens lipase, hormone-sensitive Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hormone-sensitive lipase (S09 family) Get druggable targets OG5_132840 All targets in OG5_132840
Echinococcus granulosus hormone sensitive lipase Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma mansoni hormone-sensitive lipase (S09 family) Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma mansoni hormone-sensitive lipase (S09 family) Get druggable targets OG5_132840 All targets in OG5_132840
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132840 All targets in OG5_132840
Echinococcus multilocularis hormone sensitive lipase Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma japonicum Hormone-sensitive lipase, putative Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma japonicum Hormone-sensitive lipase, putative Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma japonicum ko:K07188 hormone-sensitive lipase [EC3.1.1.79], putative Get druggable targets OG5_132840 All targets in OG5_132840

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
Loa Loa (eye worm) hypothetical protein 0.0254 0.2456 0.2345
Echinococcus granulosus biogenic amine 5HT receptor 0.0308 0.4061 0.2863
Schistosoma mansoni biogenic amine (5HT) receptor 0.0308 0.4061 0.2863
Echinococcus granulosus histone deacetylase 3 0.0254 0.2456 0.0934
Trypanosoma brucei histone deacetylase 1 0.0254 0.2456 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0254 0.2456 1
Loa Loa (eye worm) histone deacetylase 7A 0.0228 0.1679 0.1557
Leishmania major histone deacetylase, putative 0.0254 0.2456 1
Plasmodium vivax histone deacetylase 1, putative 0.0254 0.2456 1
Echinococcus multilocularis hormone sensitive lipase 0.0506 1 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0506 1 1
Brugia malayi histone deacetylase 1 (HD1) 0.0254 0.2456 1
Loa Loa (eye worm) histone deacetylase 1 0.0254 0.2456 0.2345
Brugia malayi histone deacetylase 3 (HD3) 0.0254 0.2456 1
Echinococcus multilocularis serotonin receptor 0.0308 0.4061 0.2863
Echinococcus multilocularis serotonin receptor 0.0308 0.4061 0.2863
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0254 0.2456 1
Brugia malayi Histone deacetylase family protein 0.0228 0.1679 0.6638
Schistosoma mansoni amine GPCR 0.0388 0.6457 0.5742
Toxoplasma gondii histone deacetylase HDAC3 0.0254 0.2456 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0254 0.2456 1
Trichomonas vaginalis histone deacetylase, putative 0.0254 0.2456 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0506 1 1
Schistosoma mansoni histone deacetylase 0.0254 0.2456 0.0934
Trichomonas vaginalis histone deacetylase, putative 0.0254 0.2456 1
Loa Loa (eye worm) histone deacetylase 3 0.0254 0.2456 0.2345
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0506 1 1
Loa Loa (eye worm) hypothetical protein 0.0308 0.4061 0.3974
Plasmodium falciparum histone deacetylase 1 0.0254 0.2456 1
Trichomonas vaginalis histone deacetylase, putative 0.0254 0.2456 1
Echinococcus multilocularis histone deacetylase 6 0.0241 0.207 0.047
Loa Loa (eye worm) hypothetical protein 0.0308 0.4061 0.3974
Schistosoma mansoni histone deacetylase 0.0254 0.2456 0.0934
Echinococcus multilocularis histone deacetylase 1 0.0254 0.2456 0.0934
Schistosoma mansoni histone deacetylase hda2 0.0241 0.207 0.047
Giardia lamblia Histone deacetylase 0.0254 0.2456 0.5
Echinococcus granulosus histone deacetylase 1 0.0254 0.2456 0.0934
Echinococcus granulosus histone deacetylase 6 0.0241 0.207 0.047
Loa Loa (eye worm) hypothetical protein 0.0506 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0254 0.2456 1
Trichomonas vaginalis histone deacetylase, putative 0.0254 0.2456 1
Echinococcus multilocularis histone deacetylase 3 0.0254 0.2456 0.0934
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0254 0.2456 1
Trichomonas vaginalis histone deacetylase, putative 0.0254 0.2456 1
Entamoeba histolytica histone deacetylase, putative 0.0254 0.2456 0.5
Toxoplasma gondii histone deacetylase HDAC2 0.0254 0.2456 1
Brugia malayi Histone deacetylase 1 0.0254 0.2456 1
Loa Loa (eye worm) histone deacetylase 0.0228 0.1679 0.1557
Trypanosoma cruzi histone deacetylase 1, putative 0.0254 0.2456 1
Brugia malayi Histone deacetylase family protein 0.0228 0.1679 0.6638
Leishmania major histone deacetylase, putative 0.0254 0.2456 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 1000 nM Inhibition of human recombinant hormone sensitive lipase (HSL) ChEMBL. 15149665
IC50 (functional) > 1000 nM Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells ChEMBL. 15149665
IC50 (binding) > 1000 nM Inhibition of human recombinant hormone sensitive lipase (HSL) ChEMBL. 15149665
IC50 (functional) > 1000 nM Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells ChEMBL. 15149665
IC50 (binding) > 1000 nM Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay ChEMBL. 18808096

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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