TDR Targets

Basic information

Technical information

TDR Targets ID: 1092951
Name: (phenylmethylideneamino) N-(4-hexoxyphenyl)ca rbamate
MW: 340.416 | Formula: C20H24N2O3
H donors: 1 H acceptors: 1 LogP: 5.44 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCOc1ccc(cc1)NC(=O)O/N=C/c1ccccc1
InChi: 1S/C20H24N2O3/c1-2-3-4-8-15-24-19-13-11-18(12-14-19)22-20(23)25-21-16-17-9-6-5-7-10-17/h5-7,9-14,16H,2-4,8,15H2,1H3,(H,22,23)/b21-16+
InChiKey: HNESYIHKTKWBMV-LTGZKZEYSA-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

(phenylmethyleneamino) N-(4-hexoxyphenyl)carbamate
N-(4-hexoxyphenyl)carbamic acid (phenylmethyleneamino) ester
N-(4-hexoxyphenyl)carbamic acid (benzylideneamino) ester

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 granulosus	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
Schistosoma mansoni	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 multilocularis	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
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
Brugia malayi	amidase	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 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
Schistosoma japonicum	ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], putative	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
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

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
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.1382	1	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0292	0.0292
Trichomonas vaginalis	conserved hypothetical protein	0.0162	0.105	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.004	0.0157	0.0157
Echinococcus multilocularis	tumor protein p63	0.0395	0.2764	0.2764
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0289	0.0289
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0229	0.0229
Echinococcus granulosus	intermediate filament protein	0.0032	0.0096	0.0096
Schistosoma mansoni	cellular tumor antigen P53	0.0058	0.0289	0.0289
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.1382	1	1
Schistosoma mansoni	fatty-acid amide hydrolase	0.0123	0.0767	0.0767
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0123	0.0767	0.0767
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0954	0.686	0.5
Schistosoma mansoni	dihydrofolate reductase	0.1382	1	1
Schistosoma mansoni	lamin	0.0032	0.0096	0.0096
Loa Loa (eye worm)	intermediate filament protein	0.0032	0.0096	0.0096
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0123	0.0767	0.0767
Brugia malayi	Dihydrofolate reductase	0.1382	1	1
Echinococcus granulosus	lamin	0.0032	0.0096	0.0096
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0229	0.0229
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0123	0.0767	0.0767
Brugia malayi	intermediate filament protein	0.0032	0.0096	0.0096
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0954	0.686	0.5
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.034	0.2357	0.2357
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0123	0.0767	0.0767
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0954	0.686	0.5
Echinococcus multilocularis	lamin dm0	0.0032	0.0096	0.0096
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.0292	0.0292
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.1382	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0092
Loa Loa (eye worm)	thymidylate synthase	0.034	0.2357	0.2357
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0767	0.0767
Schistosoma mansoni	intermediate filament proteins	0.0032	0.0096	0.0096
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.034	0.2357	0.146
Echinococcus granulosus	thymidylate synthase	0.034	0.2357	0.2357
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0229	0.0229
Echinococcus granulosus	tumor protein p63	0.0395	0.2764	0.2764
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0229	0.0229
Echinococcus granulosus	dihydrofolate reductase	0.1382	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0292	0.0292
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0229	0.0229
Echinococcus granulosus	lamin dm0	0.0032	0.0096	0.0096
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0229	0.0229
Brugia malayi	hypothetical protein	0.0162	0.105	0.105
Chlamydia trachomatis	dihydrofolate reductase	0.1382	1	0.5
Echinococcus multilocularis	thymidylate synthase	0.034	0.2357	0.2357
Onchocerca volvulus		0.034	0.2357	1
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0954	0.686	0.5
Schistosoma mansoni	amidase	0.0123	0.0767	0.0767
Onchocerca volvulus		0.0058	0.0289	0.0853
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0032	0.0096	0.0096
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.0157	0.0157
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0229	0.0229
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0954	0.686	0.5
Brugia malayi	amidase	0.0123	0.0767	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0096	0.0096
Echinococcus multilocularis	musashi	0.0032	0.0096	0.0096
Schistosoma mansoni	hypothetical protein	0.004	0.0157	0.0157
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0954	0.686	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0292	0.0292
Echinococcus multilocularis	lamin	0.0032	0.0096	0.0096
Brugia malayi	thymidylate synthase	0.034	0.2357	0.2357
Loa Loa (eye worm)	dihydrofolate reductase	0.1382	1	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0032	0.0096	0.0096
Echinococcus multilocularis	dihydrofolate reductase	0.1382	1	1
Schistosoma mansoni	lamin	0.0032	0.0096	0.0096

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 8 nM	Inhibition of human FAAH expressed in human H4 cells	ChEMBL.	20036536

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: CHEMBL598245

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1092951