TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 324.372 | Formula: C16H24N2O5
H donors: 0 H acceptors: 3 LogP: 1.92 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1CCCN(C1)C(=O)n1oc(=O)c(c1C)C(C)C
InChi: 1S/C16H24N2O5/c1-5-22-14(19)12-7-6-8-17(9-12)16(21)18-11(4)13(10(2)3)15(20)23-18/h10,12H,5-9H2,1-4H3
InChiKey: BOKZNVLQSUWKKZ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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 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
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

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	AUT2/APG4/ATG4 cysteine peptidase, putative	0.0061	0.0697	0.0689
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0062	0.0711	0.0711
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1329	0.1312
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0029	0.0094	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0568	1	1
Onchocerca volvulus		0.0029	0.0094	0.0075
Onchocerca volvulus		0.0038	0.0273	0.0254
Schistosoma mansoni	family S10 unassigned peptidase (S10 family)	0.0568	1	1
Loa Loa (eye worm)	hypothetical protein	0.0506	0.8864	0.8862
Echinococcus granulosus	cysteine protease atg4b	0.0061	0.0697	0.0697
Onchocerca volvulus	Huntingtin homolog	0.0225	0.3701	0.3688
Onchocerca volvulus		0.0029	0.0094	0.0075
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0568	1	1
Trichomonas vaginalis	Clan CA, family C54, ATG4-like cysteine peptidase	0.0061	0.0697	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0094	0.0075
Onchocerca volvulus	Phospholipase A2 homolog	0.0455	0.7929	0.7924
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0506	0.8864	0.8864
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0029	0.0094	0.0075
Schistosoma mansoni	bromodomain containing protein	0.0066	0.0779	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0094	0.0075
Echinococcus granulosus	lysosomal protective protein	0.0568	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0029	0.0094	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0385	0.0365
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0035	0.0214	0.0214
Echinococcus multilocularis	Peptidase C54	0.0061	0.0697	0.0697
Brugia malayi	beta-lactamase	0.0029	0.0094	0.0075
Brugia malayi	Bromodomain containing protein	0.004	0.0301	0.0282
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0035	0.0214	0.0214
Echinococcus granulosus	apoptotic protease activating factor 1	0.0025	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0455	0.7929	0.7924
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0043	0.035	0.0331
Plasmodium falciparum	cysteine protease ATG4, putative	0.0024	0.0009	0.5
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.0568	1	1
Entamoeba histolytica	hypothetical protein	0.0065	0.0764	1
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.0568	1	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0256	0.0256
Onchocerca volvulus	Phospholipase A2 homolog	0.0096	0.1329	0.1312
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0.0094	0.0086
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.0568	1	1
Entamoeba histolytica	hypothetical protein	0.0065	0.0764	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0035	0.0214	0.0195
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0046	0.0406	0.0398
Brugia malayi	beta-lactamase family protein	0.0029	0.0094	0.0075
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0094	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0062	0.0711	0.0711
Mycobacterium leprae	conserved hypothetical protein	0.0029	0.0094	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0094	0.0075
Entamoeba histolytica	peptidase, C54 family	0.0061	0.0697	0.9106
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0.0094	0.0086
Echinococcus granulosus	caspase 2	0.0025	0.002	0.002
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0025	0.002	0.002
Entamoeba histolytica	hypothetical protein	0.0065	0.0764	1
Brugia malayi	beta-lactamase family protein	0.0029	0.0094	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0094	0.0075
Toxoplasma gondii	ABC1 family protein	0.0029	0.0094	1
Schistosoma mansoni	hypothetical protein	0.0065	0.0764	0.0764
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0029	0.0094	0.0094
Schistosoma mansoni	transcription factor LCR-F1	0.0065	0.0764	0.0764
Schistosoma mansoni	survival motor neuron protein	0.0038	0.0273	0.0273
Brugia malayi	hypothetical protein	0.0188	0.3021	0.3007
Echinococcus granulosus	hormone sensitive lipase	0.0506	0.8864	0.8864
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0046	0.0406	0.0406
Echinococcus granulosus	family S10 non peptidase ue S10 family	0.0512	0.8969	0.8969
Schistosoma mansoni	autophagin-1 (C54 family)	0.0061	0.0697	0.0697
Brugia malayi	Bromodomain containing protein	0.0078	0.1003	0.0985
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0046	0.0406	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0035	0.0214	0.0214
Trypanosoma brucei	hypothetical protein, conserved	0.0029	0.0094	0.0086
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0183	0.2927	1
Echinococcus granulosus	neuropeptide s receptor	0.0368	0.6319	0.6319
Echinococcus multilocularis	neuropeptide receptor A26	0.0368	0.6319	0.6319
Brugia malayi	hypothetical protein	0.0225	0.3701	0.3688
Schistosoma mansoni	family S10 non-peptidase homologue (S10 family)	0.0568	1	1
Echinococcus multilocularis	neuropeptide s receptor	0.0368	0.6319	0.6319
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0038	0.0273	0.0254
Echinococcus granulosus	geminin	0.0307	0.52	0.52
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0046	0.0406	0.0387
Schistosoma mansoni	hypothetical protein	0.0025	0.002	0.002
Schistosoma mansoni	caspase-7 (C14 family)	0.0025	0.002	0.002
Echinococcus granulosus	survival motor neuron protein 1	0.0188	0.3021	0.3021
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0035	0.0214	0.0195
Leishmania major	AUT2/APG4/ATG4 cysteine peptidase, putative	0.0061	0.0697	0.0689
Echinococcus granulosus	neuropeptide receptor A26	0.0368	0.6319	0.6319
Echinococcus multilocularis	hormone sensitive lipase	0.0506	0.8864	0.8864
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0046	0.0406	0.1101
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0046	0.0406	0.0406
Echinococcus granulosus	Peptidase C54	0.0061	0.0697	0.0697
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0094	0.0075
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0046	0.0406	0.0406
Echinococcus multilocularis	caspase 2	0.0025	0.002	0.002
Schistosoma mansoni	hypothetical protein	0.0307	0.52	0.52
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0506	0.8864	0.8864
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0568	1	1
Echinococcus multilocularis	lysosomal protective protein	0.0568	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0065	0.0764	0.0764
Leishmania major	hypothetical protein, conserved	0.0029	0.0094	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0188	0.3021	0.3007
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0256	0.0256
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0035	0.0214	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0922	0.0903
Onchocerca volvulus	Huntingtin homolog	0.0225	0.3701	0.3688
Brugia malayi	hypothetical protein	0.0065	0.0764	0.0746
Leishmania major	serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10	0.0568	1	1
Brugia malayi	PHD-finger family protein	0.0026	0.0045	0.0025
Onchocerca volvulus		0.0029	0.0094	0.0075
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0029	0.0094	0.0075
Schistosoma mansoni	hypothetical protein	0.0038	0.0273	0.0273
Schistosoma mansoni	family C54 unassigned peptidase (C54 family)	0.0061	0.0697	0.0697
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0035	0.0214	0.0214
Schistosoma mansoni	family C54 unassigned peptidase (C54 family)	0.0061	0.0697	0.0697
Echinococcus multilocularis	geminin	0.0307	0.52	0.52
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0506	0.8864	0.8864
Schistosoma mansoni	lysosomal protective protein precursor (cathepsin A) (carboxypeptidase	0.0056	0.06	0.06
Trichomonas vaginalis	Clan CA, family C54, ATG4-like cysteine peptidase	0.0061	0.0697	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0303	0.0283
Onchocerca volvulus	Uncharacterized serine carboxypeptidase homolog	0.0568	1	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0188	0.3021	0.3021
Loa Loa (eye worm)	beta-lactamase	0.0029	0.0094	0.0075
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0065	0.0764	0.0764
Echinococcus multilocularis	cysteine protease atg4b	0.0061	0.0697	0.0697
Trichomonas vaginalis	Clan CA, family C54, ATG4-like cysteine peptidase	0.0061	0.0697	1
Trichomonas vaginalis	Clan CA, family C54, ATG4-like cysteine peptidase	0.0061	0.0697	1
Echinococcus multilocularis	family S10 non peptidase ue (S10 family)	0.0512	0.8969	0.8969
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0035	0.0214	0.0214
Brugia malayi	Peptidase family C54 containing protein	0.0061	0.0697	0.0678
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0094	0.0075
Trypanosoma cruzi	AUT2/APG4/ATG4 cysteine peptidase, putative	0.0061	0.0697	0.0689
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0348	0.0329
Schistosoma mansoni	hypothetical protein	0.0307	0.52	0.52
Entamoeba histolytica	hypothetical protein	0.0065	0.0764	1
Mycobacterium leprae	Probable lipase LipE	0.0029	0.0094	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0035	0.0214	0.0214
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0046	0.0406	1
Loa Loa (eye worm)	hypothetical protein	0.0225	0.3701	0.3688
Loa Loa (eye worm)	hypothetical protein	0.0225	0.3701	0.3688
Brugia malayi	Phospholipase A2 family protein	0.0096	0.1329	0.1312
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0568	1	1
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.0568	1	1
Trichomonas vaginalis	Clan CA, family C54, ATG4-like cysteine peptidase	0.0061	0.0697	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0029	0.0094	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0697	0.0678

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 28 nM	Inhibition of human recombinant hormone sensitive lipase (HSL)	ChEMBL.	15149665
IC50 (binding)	= 28 nM	Inhibition of human recombinant hormone sensitive lipase (HSL)	ChEMBL.	15149665
IC50 (binding)	= 28 nM	Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay	ChEMBL.	18808096
IC50 (functional)	= 170 nM	Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells	ChEMBL.	15149665
IC50 (functional)	= 170 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

ChEMBL: CHEMBL317643

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.

Detailed information for compound 177008