TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 416.646 | Formula: C20H20N2S4
H donors: 0 H acceptors: 0 LogP: 4.75 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: S=C(N1CCc2c(C1)cccc2)SSC(=S)N1CCc2c(C1)cccc2
InChi: 1S/C20H20N2S4/c23-19(21-11-9-15-5-1-3-7-17(15)13-21)25-26-20(24)22-12-10-16-6-2-4-8-18(16)14-22/h1-8H,9-14H2
InChiKey: RXSZRGMRAQEECZ-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
Homo sapiens	monoglyceride lipase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium falciparum	lysophospholipase, putative	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
Mycobacterium leprae	POSSIBLE 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
Candida albicans	similar to YJU3	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
Trypanosoma brucei gambiense	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
Trypanosoma brucei gambiense	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Mycobacterium ulcerans	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
Leishmania infantum	monoglyceride lipase, 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
Plasmodium falciparum	esterase, 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
Mycobacterium tuberculosis	Possible lysophospholipase	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
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
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	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
Trypanosoma congolense	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
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
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
Trichomonas vaginalis	valacyclovir hydrolase, 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
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	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
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	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
Schistosoma mansoni	smad	0.0035	0.0105	0.0079
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0101	0.0075
Leishmania major	hypothetical protein, conserved	0.008	0.0398	0.8566
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0156	0.0131
Echinococcus granulosus	Smad4	0.0035	0.0105	0.0079
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0149	0.0857	0.0833
Onchocerca volvulus		0.008	0.0398	0.1587
Toxoplasma gondii	ABC1 family protein	0.008	0.0398	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0167	0.0974	0.2945
Brugia malayi	hypothetical protein	0.0317	0.197	0.5957
Brugia malayi	TAR-binding protein	0.0066	0.0311	0.0939
Loa Loa (eye worm)	glutaminase 2	0.0278	0.1712	0.5178
Loa Loa (eye worm)	MH2 domain-containing protein	0.0519	0.3307	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0149	0.0857	0.0833
Loa Loa (eye worm)	hypothetical protein	0.008	0.0398	0.1203
Brugia malayi	latrophilin 2 splice variant baaae	0.0114	0.0625	0.1889
Loa Loa (eye worm)	hypothetical protein	0.008	0.0398	0.1203
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0149	0.0857	0.0833
Brugia malayi	MH1 domain containing protein	0.0035	0.0105	0.0316
Schistosoma mansoni	smad1 5 8 and	0.0035	0.0105	0.0079
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0053	0.022	0.0194
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0053	0.022	0.0194
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.0311	0.0939
Schistosoma mansoni	hypothetical protein	0.0053	0.022	0.0194
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0311	0.0285
Brugia malayi	hypothetical protein	0.0043	0.0156	0.0473
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0084	0.0428	0.0229
Loa Loa (eye worm)	MH1 domain-containing protein	0.0035	0.0105	0.0316
Brugia malayi	Latrophilin receptor protein 2	0.0053	0.022	0.0664
Loa Loa (eye worm)	hypothetical protein	0.0053	0.022	0.0664
Brugia malayi	MH1 domain containing protein	0.0035	0.0105	0.0316
Plasmodium vivax	PST-A protein	0.0084	0.0428	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0052	0.0218	0.3566
Plasmodium vivax	hypothetical protein, conserved	0.008	0.0398	0.9077
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0311	0.0285
Echinococcus multilocularis	beta LACTamase domain containing family member	0.008	0.0398	0.0373
Trypanosoma cruzi	monoglyceride lipase, putative	0.0084	0.0428	1
Trichomonas vaginalis	set domain proteins, putative	0.0277	0.1702	0.9918
Loa Loa (eye worm)	hypothetical protein	0.008	0.0398	0.1203
Trypanosoma brucei	hypothetical protein, conserved	0.008	0.0398	0.8566
Leishmania major	monoglyceride lipase, putative	0.0084	0.0428	1
Onchocerca volvulus		0.0056	0.0243	0.076
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0053	0.022	0.0194
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.008	0.0398	0.1203
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0149	0.0857	0.0833
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0084	0.0428	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0035	0.0105	0.0079
Brugia malayi	beta-lactamase	0.008	0.0398	0.1203
Echinococcus multilocularis	smad	0.0035	0.0105	0.0079
Schistosoma mansoni	Smad4	0.0035	0.0105	0.0079
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0149	0.0857	0.0833
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0053	0.022	0.0664
Schistosoma mansoni	glutaminase	0.0278	0.1712	0.1691
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0101	0.0075
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0035	0.0105	0.0079
Loa Loa (eye worm)	MH2 domain-containing protein	0.0035	0.0105	0.0316
Loa Loa (eye worm)	hypothetical protein	0.008	0.0398	0.1203
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0084	0.0428	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0035	0.0105	0.0079
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0084	0.0428	1
Echinococcus granulosus	smad	0.0035	0.0105	0.0079
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0149	0.0857	0.2593
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0056	0.0243	0.0736
Echinococcus granulosus	mothers against decapentaplegic 5	0.0035	0.0105	0.0079
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0255	0.1555	0.4703
Schistosoma mansoni	survival motor neuron protein	0.0056	0.0243	0.0218
Brugia malayi	MH2 domain containing protein	0.0035	0.0105	0.0316
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.0311	0.0939
Mycobacterium ulcerans	lysophospholipase	0.0084	0.0428	0.0229
Mycobacterium tuberculosis	Possible lysophospholipase	0.0084	0.0428	0.0106
Toxoplasma gondii	LsmAD domain-containing protein	0.0052	0.0218	0.3928
Brugia malayi	RNA binding protein	0.0066	0.0311	0.0939
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0053	0.022	0.0194
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.008	0.0398	0.0373
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0156	0.0131
Schistosoma mansoni	smad1 5 8 and	0.0035	0.0105	0.0079
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0149	0.0857	0.0833
Brugia malayi	hypothetical protein	0.0276	0.1699	0.5136
Trichomonas vaginalis	glutaminase, putative	0.0278	0.1712	1
Trypanosoma brucei	monoglyceride lipase, putative	0.0084	0.0428	1
Echinococcus multilocularis	GPCR, family 2	0.0053	0.022	0.0194
Plasmodium falciparum	lysophospholipase, putative	0.0084	0.0428	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0084	0.0428	0.0229
Brugia malayi	Smad1	0.0035	0.0105	0.0316
Brugia malayi	hypothetical protein	0.0034	0.0095	0.0286
Loa Loa (eye worm)	hypothetical protein	0.008	0.0398	0.1203
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.0311	0.0285
Loa Loa (eye worm)	hypothetical protein	0.008	0.0398	0.1203
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0101	0.0075
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0101	0.0075
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0149	0.0857	0.0833
Plasmodium falciparum	lysophospholipase, putative	0.0084	0.0428	1
Onchocerca volvulus		0.0317	0.197	1
Schistosoma mansoni	hypothetical protein	0.0053	0.022	0.0194
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.0311	0.0939
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0084	0.0428	0.0229
Echinococcus multilocularis	Smad4	0.0035	0.0105	0.0079
Echinococcus granulosus	survival motor neuron protein 1	0.0276	0.1699	0.1677
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0084	0.0428	0.0229
Schistosoma mansoni	hypothetical protein	0.0056	0.0243	0.0218
Trypanosoma brucei	monoglyceride lipase, putative	0.0084	0.0428	1
Loa Loa (eye worm)	hypothetical protein	0.0167	0.0974	0.2945
Onchocerca volvulus		0.008	0.0398	0.1587
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0509	0.324	1
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0625	0.1889
Plasmodium falciparum	esterase, putative	0.0084	0.0428	1
Loa Loa (eye worm)	hypothetical protein	0.0317	0.197	0.5957
Echinococcus granulosus	tar DNA binding protein	0.0066	0.0311	0.0285
Brugia malayi	MH2 domain containing protein	0.0519	0.3307	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0035	0.0105	0.0079
Brugia malayi	hypothetical protein	0.0052	0.0218	0.0659
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0101	0.0075
Brugia malayi	Pre-SET motif family protein	0.0243	0.1479	0.4473
Schistosoma mansoni	hypothetical protein	0.0114	0.0625	0.06
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0101	0.0306
Loa Loa (eye worm)	Smad1	0.0035	0.0105	0.0316
Trichomonas vaginalis	conserved hypothetical protein	0.0084	0.0428	0.0229
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0101	0.0075
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.008	0.0398	0.0373
Loa Loa (eye worm)	beta-lactamase	0.008	0.0398	0.1203
Schistosoma mansoni	hypothetical protein	0.0053	0.022	0.0194
Loa Loa (eye worm)	glutaminase	0.0278	0.1712	0.5178
Plasmodium falciparum	lysophospholipase, putative	0.0084	0.0428	1
Loa Loa (eye worm)	RNA binding protein	0.0066	0.0311	0.0939
Brugia malayi	beta-lactamase family protein	0.008	0.0398	0.1203
Brugia malayi	MH2 domain containing protein	0.0035	0.0105	0.0316
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0149	0.0857	0.2593
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0218	0.0659
Echinococcus multilocularis	survival motor neuron protein 1	0.0276	0.1699	0.1677
Mycobacterium ulcerans	glutaminase	0.0278	0.1712	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0167	0.0974	0.2945
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0243	0.1479	0.4473
Loa Loa (eye worm)	transcription factor SMAD2	0.0519	0.3307	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0156	0.0131
Schistosoma mansoni	hypothetical protein	0.0043	0.0156	0.0131
Echinococcus granulosus	beta LACTamase domain containing family member	0.008	0.0398	0.0373
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0084	0.0428	0.0229
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0311	0.0285
Mycobacterium ulcerans	hypothetical protein	0.0084	0.0428	0.0229
Trichomonas vaginalis	conserved hypothetical protein	0.0084	0.0428	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0276	0.1699	0.5136
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0084	0.0428	0.0229
Echinococcus granulosus	GPCR family 2	0.0053	0.022	0.0194
Schistosoma mansoni	hypothetical protein	0.0053	0.022	0.0194
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0311	0.0285
Brugia malayi	follicle stimulating hormone receptor	0.0255	0.1555	0.4703
Trypanosoma cruzi	hypothetical protein, conserved	0.008	0.0398	0.8566
Brugia malayi	Pre-SET motif family protein	0.0035	0.0101	0.0306
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0101	0.0075
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0311	0.0285
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0167	0.0974	0.2945
Trypanosoma cruzi	hypothetical protein, conserved	0.008	0.0398	0.8566
Brugia malayi	beta-lactamase family protein	0.008	0.0398	0.1203
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0053	0.022	0.0664
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.008	0.0398	0.1203
Onchocerca volvulus		0.008	0.0398	0.1587
Brugia malayi	glutaminase DH11.1	0.0278	0.1712	0.5178
Schistosoma mansoni	smad1 5 8 and	0.0035	0.0105	0.0079
Onchocerca volvulus		0.0277	0.1702	0.8563
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0093	0.0067

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 3	Inhibition of human recombinant FAAH-maltose binding protein	ChEMBL.	19883085
IC50 (binding)	= 6.46	Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting	ChEMBL.	19883085
Inhibition (binding)	> 50 %	Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate at 10 uM by liquid scintillation counting	ChEMBL.	19883085

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: CHEMBL583524

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 1079646