TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 323.349 | Formula: C17H17N5O2
H donors: 1 H acceptors: 5 LogP: 2.69 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Oc1cccc(c1)c1ccc(cc1)Cc1nnnn1C(=O)N(C)C
InChi: 1S/C17H17N5O2/c1-21(2)17(24)22-16(18-19-20-22)10-12-6-8-13(9-7-12)14-4-3-5-15(23)11-14/h3-9,11,23H,10H2,1-2H3
InChiKey: ODQAKMDFSMGWEH-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	Anandamide amidohydrolase	Starlite/ChEMBL	References
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
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127037	All targets in OG5_127037
Mycobacterium ulcerans	hypothetical protein	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
Candida albicans	one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W)	Get druggable targets OG5_127783	All targets in OG5_127783
Echinococcus multilocularis	fatty acid amide hydrolase 1	Get druggable targets OG5_127783	All targets in OG5_127783
Echinococcus granulosus	fatty acid amide hydrolase 1	Get druggable targets OG5_127783	All targets in OG5_127783
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	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
Candida albicans	one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W)	Get druggable targets OG5_127783	All targets in OG5_127783
Schistosoma japonicum	Fatty-acid amide hydrolase 1, putative	Get druggable targets OG5_127783	All targets in OG5_127783
Leishmania mexicana	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Candida albicans	hypothetical protein	Get druggable targets OG5_127783	All targets in OG5_127783
Mycobacterium ulcerans	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
Trypanosoma brucei	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
Trypanosoma congolense	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Candida albicans	one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W)	Get druggable targets OG5_127783	All targets in OG5_127783
Plasmodium falciparum	lysophospholipase, 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
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	Get druggable targets OG5_127037	All targets in OG5_127037
Candida albicans	one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W)	Get druggable targets OG5_127783	All targets in OG5_127783
Trypanosoma congolense	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Schistosoma mansoni	amidase	Get druggable targets OG5_127783	All targets in OG5_127783
Trichomonas vaginalis	valacyclovir hydrolase, 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
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
Trypanosoma cruzi	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127783	All targets in OG5_127783
Brugia malayi	amidase	Get druggable targets OG5_127783	All targets in OG5_127783
Schistosoma mansoni	fatty-acid amide hydrolase	Get druggable targets OG5_127783	All targets in OG5_127783
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	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
Trypanosoma brucei gambiense	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
Plasmodium falciparum	esterase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Echinococcus granulosus	fatty acid amide hydrolase 1	Get druggable targets OG5_127783	All targets in OG5_127783
Plasmodium falciparum	lysophospholipase, 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
Schistosoma japonicum	Fatty-acid amide hydrolase 1, putative	Get druggable targets OG5_127783	All targets in OG5_127783
Mycobacterium tuberculosis	Possible lysophospholipase	Get druggable targets OG5_127037	All targets in OG5_127037
Echinococcus multilocularis	fatty acid amide hydrolase 1	Get druggable targets OG5_127783	All targets in OG5_127783
Candida albicans	similar to YJU3	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
Trypanosoma brucei gambiense	monoglyceride lipase, putative	Get druggable targets OG5_127037	All targets in OG5_127037
Candida albicans	hypothetical protein	Get druggable targets OG5_127783	All targets in OG5_127783
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	Get druggable targets OG5_127037	All targets in OG5_127037
Schistosoma japonicum	ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], putative	Get druggable targets OG5_127783	All targets in OG5_127783
Leishmania donovani	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
Schistosoma japonicum	Fatty-acid amide hydrolase 1, putative	Anandamide amidohydrolase	579 aa	499 aa	24.6 %
Echinococcus granulosus	fatty acid amide hydrolase 1	Anandamide amidohydrolase	579 aa	470 aa	28.7 %
Echinococcus multilocularis	fatty acid amide hydrolase 1	Anandamide amidohydrolase	579 aa	470 aa	28.3 %
Plasmodium falciparum	esterase, putative	monoglyceride lipase	303 aa	254 aa	19.7 %
Onchocerca volvulus		Anandamide amidohydrolase	579 aa	539 aa	34.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	lysophospholipase, putative	0.0084	0.3542	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0888	0.2508
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0647	0.1517
Loa Loa (eye worm)	hypothetical protein	0.0123	0.5453	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0105	0.4577	1
Trypanosoma brucei	unspecified product	0.0025	0.0649	0.1832
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0526	0.0746
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0526	0.1485
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0216	1	1
Plasmodium falciparum	lysophospholipase, putative	0.0084	0.3542	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0216	1	1
Brugia malayi	amidase	0.0123	0.5453	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.003	0.0888	0.2225
Treponema pallidum	fructose-bisphosphate aldolase	0.0216	1	1
Leishmania major	monoglyceride lipase, putative	0.0084	0.3542	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0084	0.3542	0.2912
Echinococcus multilocularis	p2X purinoceptor 4	0.005	0.1861	0.3253
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0647	0.0973
Trypanosoma brucei	monoglyceride lipase, putative	0.0084	0.3542	1
Echinococcus multilocularis	dna polymerase kappa	0.003	0.0888	0.1426
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0105	0.4577	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0084	0.3542	0.2912
Schistosoma mansoni	P2X receptor subunit	0.005	0.1861	0.3253
Plasmodium vivax	PST-A protein	0.0084	0.3542	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0216	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0647	0.1517
Echinococcus granulosus	dna polymerase kappa	0.003	0.0888	0.1426
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0216	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0216	1	1
Schistosoma mansoni	amidase	0.0123	0.5453	1
Mycobacterium ulcerans	DNA polymerase IV	0.003	0.0888	0.1707
Echinococcus multilocularis	p2X purinoceptor 4	0.005	0.1861	0.3253
Leishmania major	DNA polymerase kappa, putative	0.0016	0.0163	0.01
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0123	0.5453	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.003	0.0888	0.2225
Trypanosoma brucei	monoglyceride lipase, putative	0.0084	0.3542	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0888	0.2508
Trypanosoma cruzi	monoglyceride lipase, putative	0.0084	0.3542	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0025	0.0649	0.1832
Mycobacterium ulcerans	hypothetical protein	0.0084	0.3542	0.7672
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0888	0.2508
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0084	0.3542	0.2912
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0647	0.1517
Brugia malayi	polk-prov protein	0.0023	0.0526	0.0746
Brugia malayi	hypothetical protein	0.0016	0.0204	0.0142
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0888	0.2508
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0216	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0888	0.2508
Mycobacterium ulcerans	DNA polymerase IV	0.003	0.0888	0.1707
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0016	0.0163	0.0076
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0015	0.0129	0.0364
Trypanosoma brucei	DNA polymerase IV, putative	0.003	0.0888	0.2508
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0084	0.3542	0.7672
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0163	0.046
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0084	0.3542	0.2912
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0084	0.3542	0.2912
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0123	0.5453	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0526	0.1485
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0647	0.1517
Leishmania major	hypothetical protein, conserved	0.0025	0.0647	0.1517
Plasmodium falciparum	lysophospholipase, putative	0.0084	0.3542	1
Echinococcus granulosus	p2X purinoceptor 4	0.005	0.1861	0.3253
Trypanosoma cruzi	DNA polymerase kappa, putative	0.003	0.0888	0.2225
Schistosoma mansoni	fatty-acid amide hydrolase	0.0123	0.5453	1
Mycobacterium tuberculosis	Possible lysophospholipase	0.0084	0.3542	0.7672
Echinococcus granulosus	p2X purinoceptor 4	0.005	0.1861	0.3253
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0216	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0084	0.3542	0.2912
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0647	0.1826
Trypanosoma cruzi	DNA polymerase kappa, putative	0.003	0.0888	0.2225
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0888	0.2508
Echinococcus granulosus	p2X purinoceptor 4	0.005	0.1861	0.3253
Echinococcus multilocularis	p2X purinoceptor 4	0.005	0.1861	0.3253
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0123	0.5453	1
Mycobacterium ulcerans	lysophospholipase	0.0084	0.3542	0.7672
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0216	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0888	0.2508
Trypanosoma brucei	DNA polymerase IV, putative	0.003	0.0888	0.2508
Schistosoma mansoni	P2X receptor subunit	0.005	0.1861	0.3253
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0647	0.1517
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0015	0.0129	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0888	0.2508
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0647	0.5
Plasmodium falciparum	esterase, putative	0.0084	0.3542	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0105	0.4577	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0216	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0084	0.3542	0.2912
Schistosoma mansoni	P2X receptor subunit	0.005	0.1861	0.3253
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0016	0.0163	0.01
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0084	0.3542	0.2912
Brugia malayi	hypothetical protein	0.0025	0.0647	0.0973
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0216	1	1
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0015	0.0129	0.5
Schistosoma mansoni	P2X receptor subunit	0.005	0.1861	0.3253
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0123	0.5453	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0888	0.2508

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 25 uM	Agonist activity at human TRPV1 receptor expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by spectrofluorimetric analysis	ChEMBL.	23474898
EC50 (binding)	= 26.8 uM	Agonist activity at rat TRPA1 receptor expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by spectrofluorimetric analysis	ChEMBL.	23474898
Efficacy (binding)	= 20 %	Agonist activity at human TRPV1 receptor expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by spectrofluorimetric analysis relative to ionomycin	ChEMBL.	23474898
Efficacy (binding)	= 35.7 %	Agonist activity at rat TRPA1 receptor expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by spectrofluorimetric analysis relative to allyl isothiocyanate	ChEMBL.	23474898
IC50 (binding)	= 3 nM	Inhibition of FAAH in rat brain membranes assessed as [14C]AEA hydrolysis to [14C]Ethanolamine after 30 mins by scintillation counting analysis	ChEMBL.	23474898
IC50 (binding)	= 170.9 nM	Inhibition of MAGL (unknown origin) expressed in African green monkey COS7 cell cytosolic fraction assessed as [3H]2-AG hydrolysis to [3H]arachidonic acid after 20 mins by beta counting analysis	ChEMBL.	23474898
IC50 (binding)	= 67.4 uM	Antagonist activity at human TRPV1 receptor expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ elevation incubated for 5 mins prior to capsaicin-stimulation by spectrofluorimetric analysis	ChEMBL.	23474898
IC50 (binding)	> 100 uM	Antagonist activity at rat TRPA1 receptor expressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced intracellular Ca2+ elevation incubated for 5 mins prior to allyl isothiocyanate-stimulation by spectrofluorimetric analysis	ChEMBL.	23474898

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: CHEMBL2376864

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 1761532