TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 307.35 | Formula: C17H17N5O
H donors: 0 H acceptors: 3 LogP: 2.6 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C(n1nnc2c1cccc2)N1CCN(CC1)c1ccccc1
InChi: 1S/C17H17N5O/c23-17(22-16-9-5-4-8-15(16)18-19-22)21-12-10-20(11-13-21)14-6-2-1-3-7-14/h1-9H,10-13H2
InChiKey: MWFZDBOASDJVCY-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	fatty acid amide hydrolase	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
Leishmania mexicana	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
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
Schistosoma japonicum	Fatty-acid amide hydrolase 1, putative	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
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	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
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	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	hypothetical protein	Get druggable targets OG5_127783	All targets in OG5_127783
Plasmodium falciparum	esterase, 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
Schistosoma mansoni	fatty-acid amide hydrolase	Get druggable targets OG5_127783	All targets in OG5_127783
Leishmania braziliensis	monoglyceride lipase, putative	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
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
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	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
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
Trichomonas vaginalis	conserved hypothetical protein	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
Brugia malayi	amidase	Get druggable targets OG5_127783	All targets in OG5_127783
Trichomonas vaginalis	conserved hypothetical 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
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
Plasmodium falciparum	lysophospholipase, 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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127783	All targets in OG5_127783
Trypanosoma brucei	monoglyceride lipase, putative	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
Trypanosoma cruzi	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
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
Candida albicans	hypothetical protein	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
Echinococcus granulosus	fatty acid amide hydrolase 1	Get druggable targets OG5_127783	All targets in OG5_127783
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
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
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	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	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 brucei gambiense	monoglyceride lipase, putative	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
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
Plasmodium falciparum	esterase, putative	monoglyceride lipase	303 aa	254 aa	19.7 %
Leishmania major	hypothetical protein, conserved	fatty acid amide hydrolase	579 aa	471 aa	26.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	tubulin alpha chain	0.0531	0.5096	0.5096
Echinococcus granulosus	Tubulin alpha 1 chain	0.0531	0.5096	0.5096
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0531	0.5096	0.5096
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0531	0.5096	0.5096
Leishmania major	alpha tubulin	0.0531	0.5096	0.467
Echinococcus granulosus	alpha tubulin	0.0531	0.5096	0.5096
Brugia malayi	Tubulin alpha chain	0.0187	0.0798	0.0798
Echinococcus multilocularis	tubulin gamma 1 chain	0.0431	0.3843	0.3843
Echinococcus granulosus	tubulin alpha chain	0.0531	0.5096	0.5096
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0287	0.2051	0.2051
Plasmodium falciparum	alpha tubulin 1	0.0531	0.5096	0.467
Echinococcus multilocularis	tubulin alpha 3 chain	0.0531	0.5096	0.5096
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0344	0.2759	0.2759
Trypanosoma brucei	alpha tubulin	0.0531	0.5096	0.467
Echinococcus granulosus	peroxisome assembly protein 26	0.0531	0.5096	0.5096
Echinococcus multilocularis	hypothetical protein	0.0531	0.5096	0.5096
Brugia malayi	Tubulin alpha-2 chain	0.0531	0.5096	0.5096
Trypanosoma brucei	epsilon tubulin	0.0431	0.3843	0.3309
Schistosoma mansoni	alpha tubulin	0.0531	0.5096	0.5096
Brugia malayi	Cell division protein ftsZ	0.0187	0.0798	0.0798
Trypanosoma brucei	epsilon tubulin	0.0431	0.3843	0.3309
Schistosoma mansoni	tubulin subunit alpha	0.0531	0.5096	0.5096
Treponema pallidum	cell division protein FtsZ	0.0187	0.0798	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0531	0.5096	0.467
Leishmania major	alpha tubulin	0.0531	0.5096	0.467
Loa Loa (eye worm)	alpha-tubulin	0.0531	0.5096	0.5096
Trypanosoma brucei	beta tubulin	0.0431	0.3843	0.3309
Echinococcus granulosus	tubulin alpha 3 chain	0.0531	0.5096	0.5096
Echinococcus multilocularis	tubulin alpha chain	0.0531	0.5096	0.5096
Echinococcus granulosus	tubulin subunit TubB	0.0531	0.5096	0.5096
Echinococcus multilocularis	tubulin alpha chain	0.0531	0.5096	0.5096
Trypanosoma brucei	alpha tubulin	0.0531	0.5096	0.467
Echinococcus multilocularis	tubulin alpha 1C chain	0.0531	0.5096	0.5096
Leishmania major	alpha tubulin	0.0531	0.5096	0.467
Echinococcus granulosus	tubulin alpha	0.0431	0.3843	0.3843
Plasmodium falciparum	tubulin epsilon chain, putative	0.0431	0.3843	0.3309
Loa Loa (eye worm)	alpha-tubulin	0.0531	0.5096	0.5096
Echinococcus multilocularis	tubulin epsilon chain	0.0431	0.3843	0.3843
Plasmodium vivax	tubulin alpha chain, putative	0.0531	0.5096	0.467
Entamoeba histolytica	tubulin alpha chain, putative	0.0531	0.5096	0.2035
Schistosoma mansoni	tubulin subunit beta	0.0187	0.0798	0.0798
Trichomonas vaginalis	tubulin alpha chain, putative	0.0244	0.1506	0.077
Trichomonas vaginalis	tubulin alpha chain, putative	0.0431	0.3843	0.3309
Leishmania major	alpha tubulin	0.0531	0.5096	0.467
Trypanosoma cruzi	epsilon tubulin, putative	0.0431	0.3843	0.3309
Brugia malayi	Tubulin alpha chain	0.0531	0.5096	0.5096
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0431	0.3843	0.3309
Mycobacterium ulcerans	cell division protein FtsZ	0.0187	0.0798	0.5
Mycobacterium leprae	cell division protein FtsZ	0.0187	0.0798	0.5
Plasmodium vivax	tubulin gamma chain, putative	0.0431	0.3843	0.3309
Brugia malayi	Tubulin beta chain	0.0244	0.1506	0.1506
Schistosoma mansoni	tubulin subunit delta	0.0187	0.0798	0.0798
Trypanosoma brucei	alpha tubulin	0.0531	0.5096	0.467
Trichomonas vaginalis	tubulin, putative	0.0244	0.1506	0.077
Loa Loa (eye worm)	tubulin alpha chain	0.0531	0.5096	0.5096
Leishmania major	gamma-tubulin	0.0431	0.3843	0.3309
Echinococcus granulosus	tubulin alpha chain	0.0531	0.5096	0.5096
Trypanosoma brucei	epsilon tubulin	0.0431	0.3843	0.3309
Echinococcus multilocularis	tubulin alpha 3 chain	0.0531	0.5096	0.5096
Echinococcus granulosus	tubulin alpha 1C chain	0.0531	0.5096	0.5096
Echinococcus multilocularis	tubulin alpha chain	0.0531	0.5096	0.5096
Trichomonas vaginalis	tubulin beta chain, putative	0.0531	0.5096	0.467
Leishmania major	alpha tubulin	0.0531	0.5096	0.467
Trichomonas vaginalis	tubulin gamma chain, putative	0.0431	0.3843	0.3309
Leishmania major	alpha tubulin	0.0531	0.5096	0.467
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0531	0.5096	0.467
Brugia malayi	Tubulin gamma chain	0.0431	0.3843	0.3843
Brugia malayi	alpha-tubulin	0.0531	0.5096	0.5096
Toxoplasma gondii	alpha tubulin TUBA1	0.0531	0.5096	0.467
Brugia malayi	tubulin alpha-2 chain	0.0531	0.5096	0.5096
Echinococcus granulosus	tubulin alpha 3 chain	0.0531	0.5096	0.5096
Trichomonas vaginalis	tubulin alpha chain, putative	0.0244	0.1506	0.077
Leishmania major	alpha tubulin	0.0531	0.5096	0.467
Schistosoma mansoni	tubulin subunit epsilon	0.0431	0.3843	0.3843
Trichomonas vaginalis	tubulin gamma chain, putative	0.0431	0.3843	0.3309
Trypanosoma cruzi	alpha tubulin, putative	0.0531	0.5096	0.467
Echinococcus multilocularis	tubulin alpha chain	0.0531	0.5096	0.5096
Giardia lamblia	Alpha-tubulin	0.0531	0.5096	0.467
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0244	0.1506	0.077
Trichomonas vaginalis	tubulin beta chain, putative	0.0244	0.1506	0.077
Echinococcus granulosus	tubulin delta chain	0.0187	0.0798	0.0798
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0287	0.2051	0.1362
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0531	0.5096	0.467
Trypanosoma brucei	alpha tubulin	0.0531	0.5096	0.467
Leishmania major	alpha tubulin	0.0531	0.5096	0.467
Brugia malayi	Tubulin alpha-2 chain	0.0531	0.5096	0.5096
Trypanosoma brucei	alpha tubulin, putative	0.0244	0.1506	0.077
Leishmania major	alpha tubulin	0.0531	0.5096	0.467
Plasmodium vivax	tubulin alpha chain, putative	0.0531	0.5096	0.467
Giardia lamblia	Gamma tubulin	0.0431	0.3843	0.3309
Echinococcus multilocularis	peroxisome assembly protein 26	0.0531	0.5096	0.5096
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0531	0.5096	0.5096
Echinococcus granulosus	Tubulin alpha 1 chain	0.0531	0.5096	0.5096
Giardia lamblia	Alpha-tubulin	0.0531	0.5096	0.467
Echinococcus multilocularis	tubulin alpha 1C chain	0.0531	0.5096	0.5096
Echinococcus granulosus	Tubulin alpha 1 chain	0.0531	0.5096	0.5096
Trichomonas vaginalis	tubulin, putative	0.0244	0.1506	0.077
Trichomonas vaginalis	tubulin beta chain, putative	0.0531	0.5096	0.467
Plasmodium vivax	tubulin epsilon chain, putative	0.0431	0.3843	0.3309
Echinococcus multilocularis	tubulin alpha	0.0431	0.3843	0.3843
Echinococcus granulosus	tubulin gamma 1 chain	0.0431	0.3843	0.3843
Leishmania major	alpha tubulin	0.0531	0.5096	0.467
Leishmania major	alpha tubulin	0.0531	0.5096	0.467
Toxoplasma gondii	alpha-tubulin I, putative	0.0531	0.5096	0.467
Echinococcus granulosus	tubulin alpha 1C chain	0.0531	0.5096	0.5096
Trypanosoma brucei	tubulin gamma chain	0.0431	0.3843	0.3309
Echinococcus multilocularis	tubulin delta chain	0.0187	0.0798	0.0798
Schistosoma mansoni	alpha tubulin	0.0531	0.5096	0.5096
Trichomonas vaginalis	tubulin beta chain, putative	0.0531	0.5096	0.467
Echinococcus granulosus	tubulin alpha chain	0.0531	0.5096	0.5096
Plasmodium falciparum	tubulin gamma chain	0.0431	0.3843	0.3309
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0531	0.5096	0.5096
Echinococcus granulosus	tubulin alpha chain	0.0531	0.5096	0.5096
Echinococcus granulosus	tubulin alpha chain	0.0531	0.5096	0.5096
Trichomonas vaginalis	tubulin beta chain, putative	0.0531	0.5096	0.467
Schistosoma mansoni	tubulin subunit alpha	0.0531	0.5096	0.5096
Loa Loa (eye worm)	tubulin alpha 2	0.0344	0.2759	0.2759
Onchocerca volvulus		0.0244	0.1506	0.5
Schistosoma mansoni	tubulin subunit alpha	0.0531	0.5096	0.5096
Trypanosoma cruzi	epsilon tubulin, putative	0.0431	0.3843	0.3309
Schistosoma mansoni	tubulin subunit alpha	0.0187	0.0798	0.0798
Loa Loa (eye worm)	tubulin beta chain	0.0187	0.0798	0.0798
Loa Loa (eye worm)	hypothetical protein	0.0344	0.2759	0.2759
Echinococcus multilocularis	tubulin subunit TubB	0.0531	0.5096	0.5096
Echinococcus granulosus	tubulin epsilon chain	0.0431	0.3843	0.3843
Schistosoma mansoni	alpha tubulin	0.0531	0.5096	0.5096
Trichomonas vaginalis	tubulin alpha chain, putative	0.0244	0.1506	0.077
Trichomonas vaginalis	tubulin beta chain, putative	0.0531	0.5096	0.467
Entamoeba histolytica	tubulin alpha-1 chain	0.0531	0.5096	0.2035
Loa Loa (eye worm)	hypothetical protein	0.0287	0.2051	0.2051
Trypanosoma cruzi	tubulin gamma chain	0.0431	0.3843	0.3309
Loa Loa (eye worm)	hypothetical protein	0.0531	0.5096	0.5096
Plasmodium falciparum	alpha tubulin 2	0.0531	0.5096	0.467
Leishmania major	alpha tubulin	0.0531	0.5096	0.467
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0187	0.0798	0.5
Brugia malayi	Tubulin beta chain	0.0187	0.0798	0.0798
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0187	0.0798	0.5
Loa Loa (eye worm)	tubulin alpha 2	0.0344	0.2759	0.2759
Leishmania major	epsilon tubulin, putative	0.0431	0.3843	0.3309
Loa Loa (eye worm)	tubulin alpha chain	0.0531	0.5096	0.5096
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0344	0.2759	0.2132
Trichomonas vaginalis	tubulin beta chain, putative	0.0531	0.5096	0.467
Schistosoma mansoni	tubulin subunit gamma	0.0431	0.3843	0.3843
Brugia malayi	tubulin alpha chain - mouse	0.0531	0.5096	0.5096
Loa Loa (eye worm)	tubulin gamma chain	0.0431	0.3843	0.3843

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 11 nM	Inhibition of human recombinant FAAH assessed as [3H]-AEA hydrolysis preincubated for 30 mins before [3H]-2-OG addition measured after 10 mins by liquid scintillation counting	ChEMBL.	23036333
IC50 (binding)	= 21 nM	Inhibition of human MAGL assessed as [3H]-2-OG hydrolysis preincubated for 30 mins before [3H]-2-OG addition measured after 10 mins by liquid scintillation counting	ChEMBL.	23036333

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: CHEMBL2159797

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 1722936