Detailed information for compound 177156

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 300.352 | Formula: C17H20N2O3
  • H donors: 0 H acceptors: 2 LogP: 2.84 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(n1oc(=O)c(c1C)Cc1ccccc1)N1CCCCC1
  • InChi: 1S/C17H20N2O3/c1-13-15(12-14-8-4-2-5-9-14)16(20)22-19(13)17(21)18-10-6-3-7-11-18/h2,4-5,8-9H,3,6-7,10-12H2,1H3
  • InChiKey: SKHJWYISDGMUDA-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 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
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
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0057 0.052 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0425 0.089
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0252 0.4633 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0057 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0259 0.4782 0.4782
Loa Loa (eye worm) beta-lactamase 0.0039 0.0142 0.0142
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0057 0.052 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0057 0.052 1
Echinococcus granulosus survival motor neuron protein 1 0.0259 0.4782 0.4782
Brugia malayi beta-lactamase family protein 0.0039 0.0142 0.0298
Loa Loa (eye worm) hypothetical protein 0.0039 0.0142 0.0142
Onchocerca volvulus 0.0053 0.0425 0.0888
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0142 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0506 1 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0142 0.0142
Mycobacterium ulcerans hypothetical protein 0.0039 0.0142 0.5
Brugia malayi hypothetical protein 0.0259 0.4782 1
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.052 0.0812
Echinococcus multilocularis survival motor neuron protein 1 0.0259 0.4782 0.4782
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0506 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0142 0.0142
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0057 0.052 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0142 0.0142
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.052 0.0812
Brugia malayi MAP kinase sur-1 0.0057 0.052 0.1087
Brugia malayi beta-lactamase family protein 0.0039 0.0142 0.0298
Loa Loa (eye worm) hypothetical protein 0.0039 0.0142 0.0142
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0057 0.052 0.052
Giardia lamblia Kinase, CMGC MAPK 0.0057 0.052 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0142 0.0142
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0142 0.5
Brugia malayi Pre-SET motif family protein 0.0228 0.4126 0.8628
Loa Loa (eye worm) hypothetical protein 0.0039 0.0142 0.0142
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0142 0.0298
Mycobacterium ulcerans lipase LipD 0.0039 0.0142 0.5
Echinococcus multilocularis hormone sensitive lipase 0.0506 1 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0057 0.052 1
Trichomonas vaginalis set domain proteins, putative 0.026 0.4792 1
Onchocerca volvulus 0.0039 0.0142 0.0297
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.052 0.0812
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0142 0.0142
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.052 0.052
Onchocerca volvulus 0.026 0.4792 1
Echinococcus multilocularis mitogen activated protein kinase 0.0057 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0506 1 1
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0142 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0506 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0142 0.0142
Echinococcus granulosus mitogen activated protein kinase 3 0.0057 0.052 0.052
Mycobacterium ulcerans beta-lactamase 0.0039 0.0142 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0057 0.052 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.052 1
Toxoplasma gondii ABC1 family protein 0.0039 0.0142 0.2739
Onchocerca volvulus 0.0039 0.0142 0.0297
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0142 0.0142
Schistosoma mansoni survival motor neuron protein 0.0053 0.0425 0.0425
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.052 0.0812
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0228 0.4126 0.4126
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.052 1
Onchocerca volvulus 0.0039 0.0142 0.0297
Trypanosoma brucei protein kinase, putative 0.0057 0.052 1
Schistosoma mansoni hypothetical protein 0.0053 0.0425 0.0425
Loa Loa (eye worm) hypothetical protein 0.0039 0.0142 0.0142
Brugia malayi beta-lactamase 0.0039 0.0142 0.0298
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0142 1
Mycobacterium leprae Probable lipase LipE 0.0039 0.0142 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0057 0.052 0.052

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5 nM Inhibition of human recombinant hormone sensitive lipase (HSL) ChEMBL. 15149665
IC50 (binding) = 5 nM Inhibition of human recombinant hormone sensitive lipase (HSL) ChEMBL. 15149665
IC50 (binding) = 5 nM Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay ChEMBL. 18808096
IC50 (functional) = 90 nM Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells ChEMBL. 15149665
IC50 (functional) = 90 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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