TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 347.535 | Formula: C22H37NO2
H donors: 0 H acceptors: 2 LogP: 7.38 Rotable bonds: 16
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCC/C=C\CCCCCCCCN1C(=O)C=CC1=O
InChi: 1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21(24)18-19-22(23)25/h9-10,18-19H,2-8,11-17,20H2,1H3/b10-9-
InChiKey: ZHLBWRSSJDVQPY-KTKRTIGZSA-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
Homo sapiens	monoglyceride lipase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	Get druggable targets OG5_127037	All targets in OG5_127037
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	Get druggable targets OG5_127037	All targets in OG5_127037
Plasmodium vivax	PST-A protein	Get druggable targets OG5_127037	All targets in OG5_127037
Candida albicans	similar to YJU3	Get druggable targets OG5_127037	All targets in OG5_127037
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_127037	All targets in OG5_127037
Mycobacterium tuberculosis	Possible lysophospholipase	Get druggable targets OG5_127037	All targets in OG5_127037
Leishmania major	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127037	All targets in OG5_127037
Trypanosoma congolense	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	Get druggable targets OG5_127037	All targets in OG5_127037
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	Get druggable targets OG5_127037	All targets in OG5_127037
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	Get druggable targets OG5_127037	All targets in OG5_127037
Plasmodium falciparum	lysophospholipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Leishmania mexicana	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Trypanosoma brucei	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Leishmania infantum	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Trypanosoma cruzi	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Plasmodium falciparum	esterase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Trichomonas vaginalis	valacyclovir hydrolase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Candida albicans	similar to YJU3	Get druggable targets OG5_127037	All targets in OG5_127037
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127037	All targets in OG5_127037
Trypanosoma brucei gambiense	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	Get druggable targets OG5_127037	All targets in OG5_127037
Trypanosoma brucei	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	Get druggable targets OG5_127037	All targets in OG5_127037
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	Get druggable targets OG5_127037	All targets in OG5_127037
Mycobacterium ulcerans	lysophospholipase	Get druggable targets OG5_127037	All targets in OG5_127037
Trypanosoma congolense	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Leishmania donovani	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Trypanosoma brucei gambiense	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Leishmania braziliensis	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Plasmodium falciparum	lysophospholipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Plasmodium falciparum	lysophospholipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Trypanosoma congolense	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	esterase, putative	monoglyceride lipase	303 aa	254 aa	19.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	hypothetical protein, conserved	0.0024	0.0535	0.1475
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0175	0.0175
Entamoeba histolytica	hypothetical protein	0.0037	0.1043	0.2676
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.037	0.037
Leishmania major	phosphopantetheinyl transferase-like protein	0.0024	0.0535	0.0414
Giardia lamblia	DINP protein human, muc B family	0.002	0.037	0.5
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.002	0.037	0.0605
Schistosoma mansoni	aldehyde dehydrogenase	0.0122	0.435	0.7102
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0819	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0086	0.2943	0.2943
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0084	0.2882	0.2608
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0679	0.0679
Trichomonas vaginalis	glucosylceramidase, putative	0.0184	0.6789	0.6665
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.6421	0.6284
Onchocerca volvulus		0.0028	0.0679	0.0989
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0186	0.6868	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0122	0.435	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0117	0.0117
Trichomonas vaginalis	glucosylceramidase, putative	0.0267	1	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0086	0.2943	0.2943
Echinococcus multilocularis	dna polymerase kappa	0.002	0.037	0.0605
Echinococcus granulosus	dna polymerase eta	0.002	0.037	0.0605
Schistosoma mansoni	hypothetical protein	0.0031	0.0819	0.1336
Plasmodium falciparum	lysophospholipase, putative	0.0084	0.2882	1
Plasmodium falciparum	esterase, putative	0.0084	0.2882	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0267	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.1043	0.1702
Echinococcus granulosus	lamin	0.0028	0.0679	0.1109
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0086	0.2943	0.4805
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0096	0.3336	0.3336
Echinococcus granulosus	dna polymerase kappa	0.002	0.037	0.0605
Trichomonas vaginalis	conserved hypothetical protein	0.0084	0.2882	0.2608
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.3467	0.3467
Toxoplasma gondii	aldehyde dehydrogenase	0.0122	0.435	1
Schistosoma mansoni	lamin	0.0028	0.0679	0.1109
Loa Loa (eye worm)	hypothetical protein	0.0068	0.2241	0.2241
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0096	0.3336	0.3336
Schistosoma mansoni	aldehyde dehydrogenase	0.0122	0.435	0.7102
Entamoeba histolytica	hypothetical protein	0.0037	0.1043	0.2676
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.037	0.0877
Schistosoma mansoni	DNA polymerase eta	0.002	0.037	0.0605
Echinococcus granulosus	GPCR family 2	0.0031	0.0819	0.1336
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0679	0.0679
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0819	0.0819
Entamoeba histolytica	hypothetical protein	0.0037	0.1043	0.2676
Plasmodium falciparum	lysophospholipase, putative	0.0084	0.2882	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0267	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.3336	0.5447
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.3467	0.3467
Trypanosoma brucei	DNA polymerase eta, putative	0.002	0.037	0.0877
Plasmodium vivax	PST-A protein	0.0084	0.2882	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0084	0.2882	0.2608
Trichomonas vaginalis	glucosylceramidase, putative	0.0267	1	1
Mycobacterium ulcerans	lysophospholipase	0.0084	0.2882	0.631
Brugia malayi	N-terminal motif family protein	0.0186	0.6868	0.6868
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0679	0.1109
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.037	0.0877
Echinococcus granulosus	L aminoadipate semialdehyde	0.0086	0.2943	0.4805
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0097	0.0097
Trichomonas vaginalis	glucosylceramidase, putative	0.0267	1	1
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0024	0.0535	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.6421	0.6284
Echinococcus multilocularis	lamin dm0	0.0028	0.0679	0.1109
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0819	0.1336
Schistosoma mansoni	terminal deoxycytidyl transferase	0.002	0.037	0.0605
Plasmodium falciparum	lysophospholipase, putative	0.0084	0.2882	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0117	0.0191
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0679	0.0679
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0819	0.1336
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.3336	0.5447
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.3467	0.3467
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.3336	0.5447
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.1043	0.1702
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0097	0.0097
Echinococcus granulosus	geminin	0.0167	0.6126	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0122	0.435	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.6421	0.6284
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.2241	0.2241
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0084	0.2882	0.2608
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.002	0.037	0.037
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0122	0.435	0.7102
Trichomonas vaginalis	glucosylceramidase, putative	0.0267	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.037	0.0877
Onchocerca volvulus		0.0028	0.0679	0.0989
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.037	0.0877
Echinococcus multilocularis	musashi	0.0028	0.0679	0.1109
Loa Loa (eye worm)	hypothetical protein	0.0027	0.066	0.066
Schistosoma mansoni	hypothetical protein	0.0031	0.0819	0.1336
Trichomonas vaginalis	glucosylceramidase, putative	0.0184	0.6789	0.6665
Echinococcus granulosus	lamin dm0	0.0028	0.0679	0.1109
Schistosoma mansoni	hypothetical protein	0.0031	0.0819	0.1336
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.037	0.0877
Echinococcus multilocularis	dna polymerase eta	0.002	0.037	0.0605
Entamoeba histolytica	hypothetical protein	0.0037	0.1043	0.2676
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.002	0.037	0.0605
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0122	0.435	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0819	0.0819
Trichomonas vaginalis	conserved hypothetical protein	0.0084	0.2882	0.2608
Onchocerca volvulus		0.0086	0.2943	0.4286
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0819	0.1336
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.037	0.0877
Echinococcus multilocularis	lamin	0.0028	0.0679	0.1109
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0024	0.0535	0.5
Schistosoma mansoni	hypothetical protein	0.0068	0.2241	0.3659
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.3336	0.5447
Trypanosoma cruzi	monoglyceride lipase, putative	0.0084	0.2882	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0122	0.435	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.6421	0.6284
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.037	0.0877
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.002	0.037	0.0605
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0086	0.2943	0.4805
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0084	0.2882	1
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.037	0.0877
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.6421	0.6284
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0024	0.0535	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0819	0.0819
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0819	0.1336
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0122	0.435	0.7102
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.037	0.0877
Mycobacterium ulcerans	hypothetical protein	0.0084	0.2882	0.631
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0819	0.1336
Schistosoma mansoni	hypothetical protein	0.0031	0.0819	0.1336
Schistosoma mansoni	hypothetical protein	0.0167	0.6126	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.1043	0.1702
Brugia malayi	intermediate filament protein	0.0028	0.0679	0.0679
Onchocerca volvulus	Glucosylceramidase homolog	0.0175	0.6421	0.935
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0084	0.2882	0.2608
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0122	0.435	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0117	0.0191
Leishmania major	monoglyceride lipase, putative	0.0084	0.2882	0.631
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0024	0.0535	0.0414
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.6421	0.6284
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.037	0.0877
Loa Loa (eye worm)	hypothetical protein	0.0099	0.3467	0.3467
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0084	0.2882	0.2608
Schistosoma mansoni	lamin	0.0028	0.0679	0.1109
Mycobacterium tuberculosis	Possible lysophospholipase	0.0084	0.2882	0.631
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0084	0.2882	0.2608
Loa Loa (eye worm)	hypothetical protein	0.002	0.037	0.037
Schistosoma mansoni	hypothetical protein	0.0037	0.1043	0.1702
Echinococcus multilocularis	geminin	0.0167	0.6126	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0175	0.0175
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.3336	0.5447
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0024	0.0535	0.0414
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.037	0.0877
Echinococcus granulosus	intermediate filament protein	0.0028	0.0679	0.1109
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.037	0.037
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0024	0.0535	0.0414
Schistosoma mansoni	hypothetical protein	0.0167	0.6126	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.3336	0.5447
Entamoeba histolytica	hypothetical protein	0.0024	0.0535	0.0656
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0084	0.2882	1
Trypanosoma brucei	monoglyceride lipase, putative	0.0084	0.2882	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.3336	0.5447
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.037	0.0877
Brugia malayi	hypothetical protein	0.0037	0.1043	0.1043
Trypanosoma brucei	monoglyceride lipase, putative	0.0084	0.2882	1
Loa Loa (eye worm)	hypothetical protein	0.0186	0.6868	0.6868
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0679	0.0679
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.037	0.0877
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0267	1	1
Trypanosoma brucei	unspecified product	0.002	0.037	0.0877
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0084	0.2882	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.6421	0.6284

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.93 uM	Displacement of [3H]2-OG from human MGL by liquid scintillation counting	ChEMBL.	19583260
Inhibition (binding)	= 26 %	Inhibition of [3H]ethanolamine binding to human recombinant FAAH at 1 mM by liquid scintillation counting	ChEMBL.	19583260

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: CHEMBL566336

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 1059477