Detailed information for compound 175674

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 324.438 | Formula: C16H24N2O3S
  • H donors: 0 H acceptors: 2 LogP: 2.55 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCN(CC1)C(=O)n1oc(=O)c(c1C)C1CCSCC1
  • InChi: 1S/C16H24N2O3S/c1-11-3-7-17(8-4-11)16(20)18-12(2)14(15(19)21-18)13-5-9-22-10-6-13/h11,13H,3-10H2,1-2H3
  • InChiKey: BYLUYHAOVDDZTL-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
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
Echinococcus granulosus 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 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 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
Mycobacterium ulcerans lipoprotein LpqF 0.1383 0.154 0.2454
Toxoplasma gondii Acetyl-coenzyme A transporter, putative 0.6203 1 1
Loa Loa (eye worm) hypothetical protein 0.0896 0.0684 0.0684
Loa Loa (eye worm) hypothetical protein 0.0896 0.0684 0.0684
Loa Loa (eye worm) hypothetical protein 0.0896 0.0684 0.0684
Mycobacterium tuberculosis Possible penicillin-binding protein 0.5725 0.916 1
Loa Loa (eye worm) hypothetical protein 0.0896 0.0684 0.0684
Trichomonas vaginalis esterase, putative 0.0896 0.0684 0.5
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.2882 0.417 1
Schistosoma mansoni solute carrier family 33 (acetyl-CoA transporter 0.6203 1 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0896 0.0684 0.0684
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.1383 0.154 1
Plasmodium vivax hypothetical protein, conserved 0.0896 0.0684 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0896 0.0684 0.0684
Trichomonas vaginalis D-aminoacylase, putative 0.0896 0.0684 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0896 0.0684 0.5
Loa Loa (eye worm) hypothetical protein 0.0896 0.0684 0.0684
Trypanosoma cruzi hypothetical protein, conserved 0.0896 0.0684 0.5
Loa Loa (eye worm) hypothetical protein 0.0896 0.0684 0.0684
Echinococcus multilocularis beta LACTamase domain containing family member 0.0896 0.0684 0.0684
Trypanosoma brucei beta lactamase 0.1383 0.154 1
Leishmania major hypothetical protein, conserved 0.0896 0.0684 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0896 0.0684 0.5
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.1383 0.154 0.1009
Loa Loa (eye worm) beta-lactamase 0.0896 0.0684 0.0684
Schistosoma mansoni solute carrier family 33 (acetyl-CoA transporter 0.2306 0.3159 0.3159
Onchocerca volvulus 0.0896 0.0684 0.5
Loa Loa (eye worm) hypothetical protein 0.6203 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0896 0.0684 0.5
Schistosoma mansoni solute carrier family 33 (acetyl-CoA transporter 0.6203 1 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0896 0.0684 0.0684
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0896 0.0684 0.0684
Brugia malayi Protein C21B10.09 in chromosome II 0.6203 1 1
Onchocerca volvulus 0.0896 0.0684 0.5
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.2882 0.417 0.4113
Trichomonas vaginalis penicillin-binding protein, putative 0.0896 0.0684 0.5
Echinococcus multilocularis solute carrier family 33 0.6203 1 1
Onchocerca volvulus 0.0896 0.0684 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0896 0.0684 0.5
Plasmodium falciparum acetyl-CoA transporter, putative 0.6203 1 0.5
Echinococcus granulosus solute carrier family 33 0.6203 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6 nM Inhibition of human recombinant hormone sensitive lipase (HSL) ChEMBL. 15149665
IC50 (binding) = 6 nM Inhibition of human recombinant hormone sensitive lipase (HSL) ChEMBL. 15149665
IC50 (binding) = 6 nM Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay ChEMBL. 18808096
IC50 (functional) = 24 nM Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells ChEMBL. 15149665
IC50 (functional) = 24 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.