TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 418.571 | Formula: C27H34N2O2
H donors: 0 H acceptors: 2 LogP: 6.45 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)CC(CCCCCn1c(C)nc(c1c1ccccc1)c1ccccc1)C
InChi: 1S/C27H34N2O2/c1-4-31-25(30)20-21(2)14-8-7-13-19-29-22(3)28-26(23-15-9-5-10-16-23)27(29)24-17-11-6-12-18-24/h5-6,9-12,15-18,21H,4,7-8,13-14,19-20H2,1-3H3
InChiKey: HVASTZWHTVRDNH-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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	fatty acid amide hydrolase 1	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
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	hypothetical protein	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
Brugia malayi	amidase	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
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
Echinococcus granulosus	fatty acid amide hydrolase 1	Get druggable targets OG5_127783	All targets in OG5_127783
Schistosoma mansoni	amidase	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
Echinococcus granulosus	fatty acid amide hydrolase 1	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
Schistosoma japonicum	Fatty-acid amide hydrolase 1, putative	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
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
Loa Loa (eye worm)	TK/ROR protein kinase	0.0032	0.0159	0.0159
Onchocerca volvulus	Huntingtin homolog	0.012	0.0968	0.0827
Brugia malayi	hypothetical protein	0.0039	0.0224	0.0221
Onchocerca volvulus		0.0032	0.0159	0.0006
Brugia malayi	TAR-binding protein	0.0036	0.0196	0.0193
Echinococcus granulosus	lipoxygenase domain containing protein	0.0039	0.0224	0.055
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0513	1
Echinococcus granulosus	lamin dm0	0.0031	0.0154	0.0375
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0054	0.0358	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0224	0.0224
Echinococcus multilocularis	lamin	0.0031	0.0154	0.0375
Entamoeba histolytica	hypothetical protein	0.002	0.0054	0.0111
Loa Loa (eye worm)	hypothetical protein	0.012	0.0968	0.0968
Echinococcus multilocularis	tar DNA binding protein	0.0036	0.0196	0.048
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0154	0.0154
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.005	0.005
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.005	0.0118
Schistosoma mansoni	lamin	0.0031	0.0154	0.0753
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0154	0.0151
Onchocerca volvulus		0.1104	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0054	0.0358	1
Trichomonas vaginalis	CAMK family protein kinase	0.0054	0.0358	1
Trichomonas vaginalis	CAMK family protein kinase	0.0054	0.0358	1
Echinococcus multilocularis	musashi	0.0031	0.0154	0.0375
Giardia lamblia	Kinase, PLK	0.0054	0.0358	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0123	0.0996	0.2469
Schistosoma mansoni	serine/threonine protein kinase	0.0054	0.0358	0.1772
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0513	1
Toxoplasma gondii	aldehyde dehydrogenase	0.007	0.0513	1
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0015	0.0003	0.5
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.005	0.0047
Schistosoma mansoni	lipoxygenase	0.0163	0.1362	0.6786
Trichomonas vaginalis	CAMK family protein kinase	0.0054	0.0358	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.007	0.0513	0.1268
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0054	0.0358	0.0882
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.0513	0.2547
Brugia malayi	photoreceptor-specific nuclear receptor	0.0139	0.1146	0.1144
Schistosoma mansoni	ap endonuclease	0.002	0.005	0.0237
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0123	0.0996	0.2469
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0054	0.0358	0.0882
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.005	0.0929
Leishmania major	fatty-acid desaturase, putative	0.1104	1	1
Brugia malayi	MH2 domain containing protein	0.0068	0.0487	0.0485
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0039	0.0224	0.055
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0154	0.0154
Brugia malayi	Doublecortin family protein	0.0039	0.0224	0.0221
Schistosoma mansoni	transcription factor LCR-F1	0.002	0.0054	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0139	0.1146	0.1146
Schistosoma mansoni	lipoxygenase	0.0233	0.2006	1
Loa Loa (eye worm)	amidase	0.0015	0.0003	0.0003
Trichomonas vaginalis	CAMK family protein kinase	0.0026	0.011	0.1934
Plasmodium falciparum	stearoyl-CoA desaturase	0.1104	1	1
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0123	0.0996	0.2469
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0036	0.0196	0.0196
Loa Loa (eye worm)	transcription factor SMAD2	0.0068	0.0487	0.0487
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.005	1
Entamoeba histolytica	hypothetical protein	0.002	0.0054	0.0111
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0123	0.0996	0.2469
Loa Loa (eye worm)	amidase	0.0015	0.0003	0.0003
Plasmodium falciparum	cysteine repeat modular protein 1	0.0032	0.0159	0.0156
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0154	0.0753
Echinococcus multilocularis	tissue type plasminogen activator	0.0032	0.0159	0.0389
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.002	0.0054	0.0126
Onchocerca volvulus		0.1104	1	1
Plasmodium vivax	stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative	0.1104	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0054	0.0358	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.1104	1	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0015	0.0005	0.0006
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0233	0.2006	0.4979
Mycobacterium leprae	PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A)	0.0015	0.0003	0.5
Echinococcus granulosus	lamin	0.0031	0.0154	0.0375
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0032	0.0159	0.0156
Schistosoma mansoni	tar DNA-binding protein	0.0036	0.0196	0.0964
Trypanosoma brucei	fatty acid desaturase, putative	0.1104	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0036	0.0196	0.0964
Trichomonas vaginalis	CAMK family protein kinase	0.0054	0.0358	1
Schistosoma mansoni	hypothetical protein	0.0096	0.0748	0.3718
Trypanosoma cruzi	fatty acid desaturase, putative	0.1104	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0513	1
Schistosoma mansoni	polycystin 1-related	0.0039	0.0224	0.1105
Trypanosoma cruzi	fatty acid desaturase, putative	0.1104	1	1
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0996	0.0996
Echinococcus granulosus	geminin	0.0096	0.0748	0.1851
Onchocerca volvulus		0.0039	0.0224	0.0072
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.007	0.0513	0.051
Entamoeba histolytica	hypothetical protein	0.002	0.0054	0.0111
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0054	0.0358	0.0207
Loa Loa (eye worm)	hypothetical protein	0.012	0.0968	0.0968
Mycobacterium leprae	PROBABLE AMIDASE AMIC (AMINOHYDROLASE)	0.0015	0.0003	0.5
Plasmodium falciparum	LCCL domain-containing protein	0.0039	0.0224	0.0221
Echinococcus granulosus	tissue type plasminogen activator	0.0032	0.0159	0.0389
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.005	0.0118
Brugia malayi	hypothetical protein	0.002	0.0054	0.0051
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0054	0.0358	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0224	0.0224
Echinococcus multilocularis	neuropeptide s receptor	0.0453	0.4025	1
Loa Loa (eye worm)	RNA binding protein	0.0036	0.0196	0.0196
Schistosoma mansoni	fatty-acid amide hydrolase	0.0123	0.0996	0.4959
Brugia malayi	RNA recognition motif domain containing protein	0.0036	0.0196	0.0193
Echinococcus multilocularis	lamin dm0	0.0031	0.0154	0.0375
Brugia malayi	Kringle domain containing protein	0.0032	0.0159	0.0156
Onchocerca volvulus	Huntingtin homolog	0.012	0.0968	0.0827
Trichomonas vaginalis	CAMK family protein kinase	0.0054	0.0358	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0039	0.0224	0.055
Schistosoma mansoni	loxhd1	0.0039	0.0224	0.1105
Onchocerca volvulus		0.0039	0.0224	0.0072
Echinococcus granulosus	neuropeptide receptor A26	0.0453	0.4025	1
Brugia malayi	Protein kinase domain containing protein	0.0032	0.0159	0.0156
Brugia malayi	hypothetical protein	0.0039	0.0224	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0005	0.0005
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.0513	0.2547
Schistosoma mansoni	tar DNA-binding protein	0.0036	0.0196	0.0964
Schistosoma mansoni	lamin	0.0031	0.0154	0.0753
Echinococcus granulosus	neuropeptide s receptor	0.0453	0.4025	1
Brugia malayi	intermediate filament protein	0.0031	0.0154	0.0151
Loa Loa (eye worm)	acyl-CoA desaturase	0.1104	1	1
Echinococcus granulosus	tar DNA binding protein	0.0036	0.0196	0.048
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.005	0.0047
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0154	0.0154
Leishmania major	hypothetical protein, conserved	0.0032	0.0159	0.0156
Schistosoma mansoni	rab6-interacting	0.0039	0.0224	0.1105
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0054	0.0358	0.0358
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.005	0.0047
Echinococcus granulosus	Polycystic kidney disease protein	0.0039	0.0224	0.055
Brugia malayi	amidase	0.0123	0.0996	0.0993
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.002	0.0018
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.005	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0148	0.0148
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.005	0.0047
Echinococcus multilocularis	geminin	0.0096	0.0748	0.1851
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.0159	0.0156
Schistosoma mansoni	hypothetical protein	0.002	0.0054	0.0254
Loa Loa (eye worm)	doublecortin family protein	0.0039	0.0224	0.0224
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.007	0.0513	0.1268
Plasmodium vivax	multidomain scavenger receptor, putative	0.0039	0.0224	0.0221
Schistosoma mansoni	tar DNA-binding protein	0.0036	0.0196	0.0964
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.002	0.002
Schistosoma mansoni	hypothetical protein	0.0039	0.0224	0.1105
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.005	1
Trypanosoma brucei	polo-like protein kinase	0.0054	0.0358	0.0355
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.002	0.0054	0.0126
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0233	0.2006	0.4979
Brugia malayi	RNA binding protein	0.0036	0.0196	0.0193
Loa Loa (eye worm)	TAR-binding protein	0.0036	0.0196	0.0196
Leishmania major	stearic acid desaturase, putative	0.1104	1	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0054	0.0358	0.0355
Echinococcus granulosus	lipoxygenase domain containing protein	0.0039	0.0224	0.055
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.007	0.0513	1
Brugia malayi	hypothetical protein	0.012	0.0968	0.0966
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.005	0.0047
Echinococcus multilocularis	RUN	0.0039	0.0224	0.055
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.005	0.0047
Toxoplasma gondii	kringle domain-containing protein	0.0032	0.0159	0.2357
Echinococcus granulosus	RUN	0.0039	0.0224	0.055
Trypanosoma cruzi	polo-like protein kinase, putative	0.0054	0.0358	0.0355
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.005	0.0929
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0159	0.0159
Schistosoma mansoni	amidase	0.0123	0.0996	0.4959
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0015	0.0005	0.0006
Loa Loa (eye worm)	MH2 domain-containing protein	0.0068	0.0487	0.0487
Schistosoma mansoni	hypothetical protein	0.0032	0.0159	0.0781
Echinococcus multilocularis	neuropeptide receptor A26	0.0453	0.4025	1
Schistosoma mansoni	kinase	0.0027	0.0116	0.0566
Entamoeba histolytica	hypothetical protein	0.002	0.0054	0.0111
Schistosoma mansoni	hypothetical protein	0.0096	0.0748	0.3718
Schistosoma mansoni	rab6-interacting	0.0039	0.0224	0.1105
Echinococcus multilocularis	Polycystic kidney disease protein	0.0039	0.0224	0.055
Schistosoma mansoni	ap endonuclease	0.002	0.005	0.0237
Schistosoma mansoni	tar DNA-binding protein	0.0036	0.0196	0.0964
Brugia malayi	serine/threonine-protein kinase plk-2	0.0054	0.0358	0.0355
Trichomonas vaginalis	CAMK family protein kinase	0.0026	0.011	0.1934
Echinococcus granulosus	intermediate filament protein	0.0031	0.0154	0.0375

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 130 nM	Inhibition of human FAAH expressed in H4 cells	ChEMBL.	17459705
IC50 (binding)	= 130 nM	Inhibition of human FAAH expressed in H4 cells	ChEMBL.	17459705

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

No external resources registered for this compound

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 441184