TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 275.303 | Formula: C14H17N3O3
H donors: 0 H acceptors: 3 LogP: 2.03 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN(C(=O)n1oc(=O)c(c1C)C(C)C)c1ccccn1
InChi: 1S/C14H17N3O3/c1-9(2)12-10(3)17(20-13(12)18)14(19)16(4)11-7-5-6-8-15-11/h5-9H,1-4H3
InChiKey: RPKPFTTVMWHLFV-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 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
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
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
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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0235	1
Onchocerca volvulus		0.0024	0.0235	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0235	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0235	1
Entamoeba histolytica	cysteine proteinase, putative	0.0024	0.0235	1
Onchocerca volvulus	Cathepsin L homolog	0.0024	0.0235	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0024	0.0235	1
Leishmania major	cathepsin L-like protease	0.0024	0.0235	0.5
Echinococcus multilocularis	hormone sensitive lipase	0.0506	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0235	1
Onchocerca volvulus		0.0024	0.0235	1
Brugia malayi	cathepsin L-like precursor	0.0016	0.0075	0.3182
Onchocerca volvulus		0.0024	0.0235	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0024	0.0235	1
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.0075	0.3182
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0235	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0235	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0235	1
Leishmania major	cathepsin L-like protease	0.0024	0.0235	0.5
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0235	0.0161
Echinococcus multilocularis	cathepsin L cysteine protease	0.0024	0.0235	0.0235
Toxoplasma gondii	cathepsin CPL	0.0024	0.0235	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0024	0.0235	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0024	0.0235	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0024	0.0235	1
Leishmania major	cathepsin L-like protease	0.0024	0.0235	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0235	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0235	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0235	1
Plasmodium vivax	vivapain-2	0.0024	0.0235	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0235	1
Onchocerca volvulus	Cathepsin F homolog	0.0024	0.0235	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0016	0.0075	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0075	0.3182
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0024	0.0235	0.0161
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0235	1
Entamoeba histolytica	cysteine protease, putative	0.0024	0.0235	1
Entamoeba histolytica	cysteine proteinase, putative	0.0024	0.0235	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0235	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0235	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0075	0.0075
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0024	0.0235	0.0235
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0024	0.0235	0.0235
Schistosoma mansoni	cathepsin F (C01 family)	0.0024	0.0235	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0506	1	1
Loa Loa (eye worm)	ctsf protein	0.0024	0.0235	0.0161
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0235	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0235	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0024	0.0235	0.0235
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0235	1
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0506	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0235	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0016	0.0075	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0235	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0075	0.3182
Plasmodium vivax	vivapain-2	0.0024	0.0235	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0235	1
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0506	1	1
Leishmania major	cathepsin L-like protease	0.0024	0.0235	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0235	1
Onchocerca volvulus		0.0024	0.0235	1
Echinococcus multilocularis	cysteine protease	0.0024	0.0235	0.0235
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0235	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0024	0.0235	0.0235
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0235	1
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0235	1
Leishmania major	cathepsin L-like protease	0.0024	0.0235	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0235	1
Echinococcus multilocularis	cysteine protease	0.0024	0.0235	0.0235
Echinococcus multilocularis	cathepsin L cysteine protease	0.0024	0.0235	0.0235
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0024	0.0235	0.0235
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0235	1
Leishmania major	cysteine peptidase A (CPA)	0.0024	0.0235	0.5
Loa Loa (eye worm)	fibroinase	0.0024	0.0235	0.0161
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0075	0.3182
Echinococcus granulosus	cathepsin l1	0.0016	0.0075	0.0075
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0235	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0235	1
Echinococcus granulosus	cathepsin l1	0.0024	0.0235	0.0235
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0235	1
Onchocerca volvulus		0.0024	0.0235	1
Onchocerca volvulus		0.0024	0.0235	1
Onchocerca volvulus		0.0024	0.0235	1
Leishmania major	cathepsin L-like protease	0.0024	0.0235	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0235	1
Leishmania major	cathepsin L-like protease	0.0024	0.0235	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0024	0.0235	1
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0235	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0235	1
Leishmania major	cathepsin L-like protease	0.0024	0.0235	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0235	1
Loa Loa (eye worm)	cysteine protease	0.0024	0.0235	0.0161
Trypanosoma cruzi	cruzipain precursor, putative	0.0024	0.0235	1
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0506	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0235	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0235	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0024	0.0235	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0235	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0235	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0235	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0075	0.3182
Onchocerca volvulus	Cathepsin L homolog	0.0024	0.0235	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0024	0.0235	1
Brugia malayi	Papain family cysteine protease containing protein	0.0024	0.0235	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0024	0.0235	0.0161
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0235	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0235	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0024	0.0235	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	0 nM	Evaluated for the inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells; Na = Not active	ChEMBL.	15149665
IC50 (binding)	= 240 nM	Inhibition of human recombinant hormone sensitive lipase (HSL)	ChEMBL.	15149665
IC50 (binding)	= 240 nM	Inhibition of human recombinant hormone sensitive lipase (HSL)	ChEMBL.	15149665
IC50 (binding)	= 240 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

ChEMBL: CHEMBL105996

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 176098