Detailed information for compound 179159

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 270.348 | Formula: C12H18N2O3S
  • H donors: 0 H acceptors: 2 LogP: 1.63 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1c(=O)on(c1C)C(=O)N1CCSCC1)C
  • InChi: 1S/C12H18N2O3S/c1-8(2)10-9(3)14(17-11(10)15)12(16)13-4-6-18-7-5-13/h8H,4-7H2,1-3H3
  • InChiKey: NYZIQADSGMWFHP-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
Homo sapiens lipase, hormone-sensitive Starlite/ChEMBL References
Rattus norvegicus Hormone-sensitive lipase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis hormone sensitive lipase 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 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
Schistosoma mansoni hormone-sensitive lipase (S09 family) 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
Schistosoma japonicum Hormone-sensitive lipase, 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
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0044 0.0000036265 0.0002
Loa Loa (eye worm) fructose-bisphosphate aldolase 1 0.0071 0.0156 0.015
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0071 0.0156 0.015
Onchocerca volvulus 0.0045 0.0005 0.5
Onchocerca volvulus 0.0045 0.0005 0.5
Onchocerca volvulus 0.0045 0.0005 0.5
Brugia malayi fructose-bisphosphate aldolase 2 0.0071 0.0156 0.015
Brugia malayi fructose-bisphosphate aldolase 1 0.0071 0.0156 0.015
Trypanosoma cruzi trans-sialidase, putative 0.0044 0.0000036265 0.0002
Onchocerca volvulus 0.0045 0.0005 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0044 0.0000036265 0.0002
Onchocerca volvulus 0.0045 0.0005 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0044 0.0000036265 0.0002
Giardia lamblia Protein tyrosine phosphatase 0.0045 0.0005 0.5
Echinococcus granulosus fructose bisphosphate aldolase class I 0.0071 0.0156 0.015
Echinococcus multilocularis hormone sensitive lipase 0.0506 0.268 0.2676
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0044 0.0000036265 0.0002
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0071 0.0156 0.015
Onchocerca volvulus 0.0045 0.0005 0.5
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0045 0.0005 0.0343
Onchocerca volvulus 0.0045 0.0005 0.5
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0045 0.0005 0.0343
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0044 0.0000036265 0.0002
Plasmodium falciparum fructose-bisphosphate aldolase 0.0071 0.0156 0.5
Onchocerca volvulus 0.0045 0.0005 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0044 0.0000036265 0.0002
Onchocerca volvulus 0.0045 0.0005 0.5
Leishmania major fructose-1,6-bisphosphate aldolase 0.0071 0.0156 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0044 0.0000036265 0.0002
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0045 0.0005 0.5
Onchocerca volvulus 0.0045 0.0005 0.5
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0045 0.0005 0.0343
Onchocerca volvulus 0.0045 0.0005 0.5
Onchocerca volvulus 0.0045 0.0005 0.5
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0071 0.0156 0.5
Trypanosoma cruzi trans-sialidase, putative 0.0044 0.0000036265 0.0002
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.1769 1 1
Onchocerca volvulus 0.0045 0.0005 0.5
Onchocerca volvulus 0.0045 0.0005 0.5
Echinococcus granulosus hormone sensitive lipase 0.0506 0.268 0.2676
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0071 0.0156 1
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0071 0.0156 0.015
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0044 0.0000036265 0.0002
Loa Loa (eye worm) fructose-bisphosphate aldolase 2 0.0071 0.0156 0.015
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0071 0.0156 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0506 0.268 0.2676
Onchocerca volvulus 0.0045 0.0005 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0044 0.0000036265 0.0002
Onchocerca volvulus 0.0045 0.0005 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.1769 1 1
Onchocerca volvulus 0.0045 0.0005 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0044 0.0000036265 0.0002
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.1769 1 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0506 0.268 0.2676
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0506 0.268 0.2676
Echinococcus multilocularis fructose bisphosphate aldolase class I 0.0071 0.0156 0.015
Onchocerca volvulus 4.1 G protein, putative homolog 0.0045 0.0005 0.5
Onchocerca volvulus 0.0045 0.0005 0.5
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0071 0.0156 0.015
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0071 0.0156 0.015
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0044 0.0000036265 0.0002
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0045 0.0005 0.5
Trypanosoma cruzi trans-sialidase, putative 0.0044 0.0000036265 0.0002
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0071 0.0156 0.015
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0071 0.0156 0.015
Trichomonas vaginalis pten, drome, putative 0.0045 0.0005 0.5
Onchocerca volvulus 0.0045 0.0005 0.5
Trypanosoma brucei fructose-bisphosphate aldolase, glycosomal, putative 0.0071 0.0156 1
Trypanosoma brucei protein tyrosine phosphatase 1 0.0045 0.0005 0.0341
Loa Loa (eye worm) hypothetical protein 0.0506 0.268 0.2676
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0071 0.0156 0.5
Toxoplasma gondii fructose-bisphosphate aldolase, putative 0.0071 0.0156 0.5
Onchocerca volvulus 0.0045 0.0005 0.5
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0071 0.0156 0.015
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.1769 1 1
Onchocerca volvulus 0.0045 0.0005 0.5
Onchocerca volvulus 0.0045 0.0005 0.5
Onchocerca volvulus 0.0045 0.0005 0.5
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0045 0.0005 0.5
Plasmodium vivax fructose 1,6-bisphosphate aldolase, putative 0.0071 0.0156 0.5
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0071 0.0156 1
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0071 0.0156 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8 nM Inhibition of human recombinant hormone sensitive lipase (HSL) ChEMBL. 15149665
IC50 (binding) = 8 nM Inhibition of human recombinant hormone sensitive lipase (HSL) ChEMBL. 15149665
IC50 (binding) = 8 nM Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay ChEMBL. 18808096
IC50 (functional) = 290 nM Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells ChEMBL. 15149665
IC50 (functional) = 290 nM Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells ChEMBL. 15149665

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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