TDR Targets

Basic information

Technical information

TDR Targets ID: 178955
Name: 3-methyl-2-(morpholine-4-carbonyl)-4-propan-2 -yl-1,2-oxazol-5-one
MW: 254.282 | Formula: C12H18N2O4
H donors: 0 H acceptors: 2 LogP: 0.83 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC(c1c(=O)on(c1C)C(=O)N1CCOCC1)C
InChi: 1S/C12H18N2O4/c1-8(2)10-9(3)14(18-11(10)15)12(16)13-4-6-17-7-5-13/h8H,4-7H2,1-3H3
InChiKey: MJPJIPUOEWMXBJ-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

4-isopropyl-3-methyl-2-(morpholine-4-carbonyl)isoxazol-5-one
4-isopropyl-3-methyl-2-[morpholino(oxo)methyl]-5-isoxazolone
3-methyl-2-morpholin-4-ylcarbonyl-4-propan-2-yl-1,2-oxazol-5-one
4-isopropyl-3-methyl-2-(morpholine-4-carbonyl)-3-isoxazolin-5-one
4-isopropyl-3-methyl-2-(morpholino-oxomethyl)-5-isoxazolone

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 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
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
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

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
Onchocerca volvulus		0.0017	0.006	0.006
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.006	0.0197
Brugia malayi	Cathepsin L-like precursor	0.0017	0.006	0.006
Loa Loa (eye worm)	tyrosinase 1	0.0974	1	1
Echinococcus multilocularis	hormone sensitive lipase	0.0506	0.5139	1
Plasmodium vivax	vivapain-2	0.0017	0.006	0.5
Onchocerca volvulus		0.0974	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0305	0.305	1
Leishmania major	cathepsin L-like protease	0.0067	0.0571	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.006	0.0197
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0974	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0571	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.006	0.0197
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.006	0.006
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0149	0.1428	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.006	0.0197
Onchocerca volvulus		0.0974	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0305	0.305	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.006	0.006
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.006	0.0197
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0305	0.305	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.006	0.006
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0974	1	1
Onchocerca volvulus		0.0017	0.006	0.006
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.006	0.0197
Echinococcus granulosus	cathepsin l1	0.0017	0.006	0.0117
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.006	0.0197
Leishmania major	cathepsin L-like protease	0.0067	0.0571	1
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0506	0.5139	0.5139
Loa Loa (eye worm)	hypothetical protein	0.0974	1	1
Loa Loa (eye worm)	ShTK domain-containing protein	0.0974	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.006	0.006
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0571	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.006	0.0197
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.006	0.0197
Plasmodium vivax	vivapain-2	0.0017	0.006	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0571	1
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0506	0.5139	0.5139
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0305	0.305	1
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.006	0.0197
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.006	0.006
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0305	0.305	1
Echinococcus granulosus	hormone sensitive lipase	0.0506	0.5139	1
Loa Loa (eye worm)	fibroinase	0.0017	0.006	0.006
Brugia malayi	Cathepsin L-like precursor	0.0017	0.006	0.006
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.006	0.0197
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.006	0.0197
Giardia lamblia	Fructose-bisphosphate aldolase	0.0305	0.305	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0571	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.006	0.0197
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.006	0.006
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0017	0.006	0.5
Onchocerca volvulus		0.0017	0.006	0.006
Onchocerca volvulus		0.0974	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0067	0.0571	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0571	0.5
Onchocerca volvulus		0.0017	0.006	0.006
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.006	0.0197
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.006	0.0197
Onchocerca volvulus		0.0017	0.006	0.006
Brugia malayi	Cathepsin L-like precursor	0.0017	0.006	0.006
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0305	0.305	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0571	0.5
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0305	0.305	1
Loa Loa (eye worm)	hypothetical protein	0.0974	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.006	0.0117
Trypanosoma cruzi	major cysteine proteinase, putative	0.0052	0.0423	0.7098
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.006	0.0197
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0974	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.006	0.0197
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0506	0.5139	0.5139
Entamoeba histolytica	cysteine protease, putative	0.0017	0.006	0.0197
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.006	0.006
Brugia malayi	Common central domain of tyrosinase family protein	0.0974	1	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.006	0.006
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0571	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.006	0.0197
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0571	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.006	0.006
Loa Loa (eye worm)	ShTK domain-containing protein	0.0974	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.006	0.0197
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0305	0.305	1
Loa Loa (eye worm)	hypothetical protein	0.0506	0.5139	0.5139
Schistosoma mansoni	tyrosinase precursor	0.0974	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.006	0.0197
Leishmania major	cathepsin L-like protease	0.0067	0.0571	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0571	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.006	0.006
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0571	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.006	0.0197
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0571	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.006	0.0197
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0017	0.006	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0305	0.305	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0305	0.305	1
Onchocerca volvulus		0.0974	1	1
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0974	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.006	0.0197
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0017	0.006	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0571	1
Onchocerca volvulus		0.0017	0.006	0.006
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0061	0.0511	0.8824
Schistosoma mansoni	tyrosinase precursor	0.0974	1	1
Toxoplasma gondii	cathepsin CPL	0.0017	0.006	0.5
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.006	0.006
Loa Loa (eye worm)	cysteine protease	0.0017	0.006	0.006
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.006	0.0197
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0571	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.006	0.0197
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.006	0.0197
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0149	0.1428	0.5
Loa Loa (eye worm)	ctsf protein	0.0017	0.006	0.006
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0149	0.1428	0.5
Onchocerca volvulus		0.0017	0.006	0.006
Treponema pallidum	fructose-bisphosphate aldolase	0.0305	0.305	0.5
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.006	0.0117
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0571	0.5
Brugia malayi	Cathepsin L-like precursor	0.0017	0.006	0.006
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.006	0.0197

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 52 nM	Inhibition of human recombinant hormone sensitive lipase (HSL)	ChEMBL.	15149665
IC50 (binding)	= 52 nM	Inhibition of human recombinant hormone sensitive lipase (HSL)	ChEMBL.	15149665
IC50 (binding)	= 52 nM	Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay	ChEMBL.	18808096
IC50 (functional)	> 1000 nM	Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells	ChEMBL.	15149665
IC50 (functional)	> 1000 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: CHEMBL110388
PubChem: 22946387

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 178955