TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 319.4 | Formula: C20H21N3O
H donors: 2 H acceptors: 3 LogP: 3.76 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(c1ccccc1)CNc1ncnc(c1)c1ccc(c(c1)C)C
InChi: 1S/C20H21N3O/c1-14-8-9-17(10-15(14)2)18-11-20(23-13-22-18)21-12-19(24)16-6-4-3-5-7-16/h3-11,13,19,24H,12H2,1-2H3,(H,21,22,23)
InChiKey: XBOMNDJKFGULCF-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	fatty acid amide hydrolase	Starlite/ChEMBL	References
Rattus norvegicus	Anandamide amidohydrolase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Fatty-acid amide hydrolase 1, putative	Get druggable targets OG5_127783	All targets in OG5_127783
Schistosoma japonicum	ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], putative	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
Echinococcus granulosus	fatty acid amide hydrolase 1	Get druggable targets OG5_127783	All targets in OG5_127783
Candida albicans	hypothetical protein	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
Candida albicans	hypothetical protein	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
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 mansoni	fatty-acid amide hydrolase	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
Schistosoma japonicum	Fatty-acid amide hydrolase 1, putative	Get druggable targets OG5_127783	All targets in OG5_127783
Brugia malayi	amidase	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127783	All targets in OG5_127783
Schistosoma mansoni	amidase	Get druggable targets OG5_127783	All targets in OG5_127783

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 multilocularis	fatty acid amide hydrolase 1	Anandamide amidohydrolase	579 aa	470 aa	28.3 %
Echinococcus granulosus	fatty acid amide hydrolase 1	Anandamide amidohydrolase	579 aa	470 aa	28.7 %
Leishmania major	hypothetical protein, conserved	fatty acid amide hydrolase	579 aa	471 aa	26.5 %
Onchocerca volvulus		Anandamide amidohydrolase	579 aa	539 aa	34.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0879	0.9915	1
Onchocerca volvulus		0.0221	0.2272	0.2246
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0268	0.025
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1175	0.1146
Leishmania major	diacylglycerol acyltransferase, putative	0.0113	0.102	0.1029
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.003	0.0054	1
Mycobacterium ulcerans	amidase	0.003	0.0054	1
Loa Loa (eye worm)	hypothetical protein	0.0508	0.5609	0.5594
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0879	0.9915	0.9915
Onchocerca volvulus		0.0508	0.5609	0.5594
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.003	0.0054	0.5
Loa Loa (eye worm)	hypothetical protein	0.0378	0.4101	0.4082
Trichomonas vaginalis	conserved hypothetical protein	0.0853	0.9607	1
Schistosoma mansoni	carbonic anhydrase-related	0.0476	0.5236	0.5281
Loa Loa (eye worm)	hypothetical protein	0.0476	0.5236	0.5221
Trichomonas vaginalis	conserved hypothetical protein	0.0378	0.4101	0.2494
Toxoplasma gondii	dgat2l1-prov protein	0.0113	0.102	0.1948
Brugia malayi	hypothetical protein	0.0378	0.4101	0.4082
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0879	0.9915	1
Loa Loa (eye worm)	hypothetical protein	0.0508	0.5609	0.5594
Loa Loa (eye worm)	hypothetical protein	0.0476	0.5236	0.5221
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.003	0.0054	0.5
Plasmodium falciparum	carbonic anhydrase	0.0476	0.5236	1
Brugia malayi	Amidase family protein	0.003	0.0054	0.0022
Brugia malayi	hypothetical protein	0.0126	0.1175	0.1146
Onchocerca volvulus	Huntingtin homolog	0.0126	0.1175	0.1146
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0269	0.0237
Toxoplasma gondii	Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase	0.0029	0.0046	0.0087
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0113	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0508	0.5609	0.5594
Brugia malayi	LBP/BPI	0.0378	0.4101	0.4082
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0028	0.0033	0.0033
Brugia malayi	Glycosylation related protein 12, isoform	0.0029	0.0046	0.0013
Loa Loa (eye worm)	amidase	0.003	0.0054	0.0022
Entamoeba histolytica	hypothetical protein	0.0035	0.0113	0.5
Trypanosoma cruzi	amidase, putative	0.003	0.0054	0.0055
Trypanosoma cruzi	diacylglycerol acyltransferase, putative	0.0113	0.102	0.1029
Trypanosoma cruzi	diacylglycerol acyltransferase, putative	0.0113	0.102	0.1029
Echinococcus multilocularis	alpha 1,3 mannosyl glycoprotein	0.0085	0.07	0.0675
Loa Loa (eye worm)	hypothetical protein	0.0246	0.2568	0.2543
Echinococcus multilocularis	carbonic anhydrase	0.0476	0.5236	0.5266
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0246	0.2568	0.2565
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0268	0.0271
Schistosoma mansoni	hypothetical protein	0.0476	0.5236	0.5281
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0508	0.5609	0.5594
Brugia malayi	hypothetical protein	0.0035	0.0113	0.0081
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0879	0.9915	1
Brugia malayi	Pre-SET motif family protein	0.0194	0.1961	0.1934
Entamoeba histolytica	hypothetical protein	0.0035	0.0113	0.5
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0508	0.5609	0.5594
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0476	0.5236	0.5221
Loa Loa (eye worm)	carbonic anhydrase 3	0.0879	0.9915	0.9915
Schistosoma mansoni	fatty-acid amide hydrolase	0.0246	0.2568	0.259
Brugia malayi	UDP-GlcNAc:a-6-D-mannoside b1,2-N-acetylglucosaminyltransferase II	0.0282	0.2982	0.2959
Schistosoma mansoni	amidase	0.0246	0.2568	0.259
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0268	0.025
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0476	0.5236	0.5221
Mycobacterium ulcerans	amidase	0.003	0.0054	1
Schistosoma mansoni	hypothetical protein	0.0164	0.161	0.1624
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0028	0.0033	0.0033
Trichomonas vaginalis	conserved hypothetical protein	0.0853	0.9607	1
Echinococcus granulosus	carbonic anhydrase	0.0476	0.5236	0.5271
Echinococcus granulosus	geminin	0.0164	0.161	0.1606
Schistosoma mansoni	hypothetical protein	0.0164	0.161	0.1624
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0879	0.9915	0.9915
Entamoeba histolytica	hypothetical protein	0.0035	0.0113	0.5
Brugia malayi	diacylglycerol acyltransferase family protein	0.0113	0.102	0.099
Trichomonas vaginalis	conserved hypothetical protein	0.0853	0.9607	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.003	0.0054	0.0022
Echinococcus multilocularis	carbonic anhydrase	0.0476	0.5236	0.5266
Loa Loa (eye worm)	hypothetical protein	0.0085	0.07	0.0669
Leishmania major	hypothetical protein, conserved	0.003	0.0054	0.0055
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0268	0.0237
Trichomonas vaginalis	conserved hypothetical protein	0.0853	0.9607	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0269	0.0237
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0476	0.5236	0.5221
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0476	0.5236	0.5221
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0194	0.1961	0.1934
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0028	0.0033	0.0033
Brugia malayi	putative amidase	0.003	0.0054	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0378	0.4101	0.4082
Mycobacterium ulcerans	amidase	0.003	0.0054	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.07	0.0669
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.003	0.0054	0.0055
Entamoeba histolytica	hypothetical protein	0.0035	0.0113	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0268	0.0271
Brugia malayi	GNT-I family protein	0.0085	0.07	0.0669
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0113	0.0082
Loa Loa (eye worm)	amidase	0.003	0.0054	0.0022
Trichomonas vaginalis	conserved hypothetical protein	0.0853	0.9607	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0268	0.0271
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0246	0.2568	0.2574
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0046	0.0013
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.003	0.0054	0.5
Onchocerca volvulus		0.0378	0.4101	0.4082
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.003	0.0054	0.5
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0028	0.0033	0.0062
Trichomonas vaginalis	conserved hypothetical protein	0.052	0.5745	0.4735
Toxoplasma gondii	hypothetical protein	0.0333	0.3572	0.6822
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.003	0.0054	0.0034
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0113	0.102	0.1029
Onchocerca volvulus		0.0508	0.5609	0.5594
Brugia malayi	amidase	0.0246	0.2568	0.2543
Echinococcus multilocularis	alpha 1,6 mannosyl glycoprotein	0.0282	0.2982	0.2984
Schistosoma mansoni	carbonic anhydrase	0.0476	0.5236	0.5281
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.003	0.0054	0.0055
Schistosoma mansoni	beta-12-n-acetylglucosaminyltransferase II	0.0282	0.2982	0.3007
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0508	0.5609	0.5594
Echinococcus granulosus	histone lysine methyltransferase setb	0.0028	0.0033	0.0012
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0246	0.2568	0.2574
Toxoplasma gondii	hypothetical protein	0.0476	0.5236	1
Echinococcus granulosus	fatty acid amide hydrolase 1	0.003	0.0054	0.0034
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0113	0.102	0.099
Echinococcus multilocularis	geminin	0.0164	0.161	0.1596
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0476	0.5236	0.5221
Trichomonas vaginalis	conserved hypothetical protein	0.0853	0.9607	1
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0879	0.9915	0.9915
Onchocerca volvulus		0.0113	0.102	0.099
Echinococcus granulosus	carbonic anhydrase	0.0476	0.5236	0.5271
Loa Loa (eye worm)	hypothetical protein	0.0508	0.5609	0.5594
Schistosoma mansoni	fatty-acid amide hydrolase	0.003	0.0054	0.0055
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.003	0.0054	0.5
Schistosoma mansoni	carbonic anhydrase-related	0.0476	0.5236	0.5281
Mycobacterium ulcerans	peptide amidase, GatA	0.003	0.0054	1
Trichomonas vaginalis	conserved hypothetical protein	0.0853	0.9607	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0268	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1175	0.1146
Mycobacterium ulcerans	amidase	0.003	0.0054	1
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.003	0.0054	0.5
Echinococcus multilocularis	carbonic anhydrase	0.0476	0.5236	0.5266
Schistosoma mansoni	hypothetical protein	0.0035	0.0113	0.0114
Echinococcus granulosus	alpha 16 mannosyl glycoprotein	0.0282	0.2982	0.2993
Echinococcus granulosus	carbonic anhydrase II	0.0879	0.9915	1
Loa Loa (eye worm)	hypothetical protein	0.0476	0.5236	0.5221
Leishmania major	carbonic anhydrase-like protein	0.0879	0.9915	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0092	0.0059
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0246	0.2568	0.2565
Mycobacterium leprae	PROBABLE AMIDASE AMIC (AMINOHYDROLASE)	0.003	0.0054	0.5
Schistosoma mansoni	hypothetical protein	0.0033	0.0092	0.0093
Echinococcus multilocularis	carbonic anhydrase II	0.0879	0.9915	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0113	0.0093
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0476	0.5236	0.5221
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0879	0.9915	1
Brugia malayi	Amidase family protein	0.003	0.0054	0.0022
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.003	0.0054	0.5
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.003	0.0054	0.5
Loa Loa (eye worm)	hypothetical protein	0.0378	0.4101	0.4082
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.003	0.0054	0.0022
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0269	0.0237
Schistosoma mansoni	alpha-13-mannosyl-glycoprotein beta-1 2-n-acetylglucosaminyltransferase	0.0085	0.07	0.0706
Mycobacterium leprae	PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A)	0.003	0.0054	0.5
Brugia malayi	hypothetical protein	0.0508	0.5609	0.5594
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0508	0.5609	0.5594
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0269	0.0237
Brugia malayi	hypothetical protein	0.0508	0.5609	0.5594
Echinococcus granulosus	alpha 13 mannosyl glycoprotein	0.0085	0.07	0.0686
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.003	0.0054	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0028	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0282	0.2982	0.2959
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0508	0.5609	0.5594
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0268	0.0239
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0268	0.0237
Trichomonas vaginalis	conserved hypothetical protein	0.0853	0.9607	1
Trypanosoma brucei	diacylglycerol acyltransferase, putative	0.0113	0.102	0.1029
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0092	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0378	0.4101	0.4082
Mycobacterium ulcerans	amidase	0.003	0.0054	1
Schistosoma mansoni	carbonic anhydrase-related	0.0476	0.5236	0.5281
Loa Loa (eye worm)	hypothetical protein	0.0508	0.5609	0.5594
Echinococcus granulosus	carbonic anhydrase	0.0476	0.5236	0.5271
Trypanosoma cruzi	amidase, putative	0.003	0.0054	0.0055
Trypanosoma brucei	carbonic anhydrase-like protein	0.0879	0.9915	1
Onchocerca volvulus	Huntingtin homolog	0.0126	0.1175	0.1146

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 477 nM	Inhibition of human FAAH	ChEMBL.	24513048
IC50 (binding)	= 2075 nM	Inhibition of rat FAAH	ChEMBL.	24513048

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: CHEMBL3121110

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 1831671