TDR Targets

Basic information

Technical information

TDR Targets ID: 419881
Name: N-cyclopropyl-11-(3-pentadecylphenoxy)undecan amide
MW: 527.864 | Formula: C35H61NO2
H donors: 1 H acceptors: 1 LogP: 13.31 Rotable bonds: 28
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCCCCCCCCCCCc1cccc(c1)OCCCCCCCCCCC(=O)NC1CC1
InChi: 1S/C35H61NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-24-32-25-23-26-34(31-32)38-30-22-19-16-13-12-15-18-21-27-35(37)36-33-28-29-33/h23,25-26,31,33H,2-22,24,27-30H2,1H3,(H,36,37)
InChiKey: HDAIDEKJMHVMRW-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0053	0.031	0.0238
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0053	0.031	0.031
Schistosoma mansoni	tyrosine kinase	0.0053	0.031	0.0203
Brugia malayi	Receptor family ligand binding region containing protein	0.0053	0.031	0.0296
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0569	0.8031	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.031	0.031
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0646	0.9199	1
Schistosoma mansoni	tyrosine kinase	0.0053	0.031	0.0203
Trypanosoma cruzi	extracellular receptor, putative	0.0053	0.031	0.5
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0053	0.031	0.0296
Schistosoma mansoni	protein kinase	0.0053	0.031	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0053	0.031	0.031
Loa Loa (eye worm)	glutamate receptor	0.0569	0.8031	0.8031
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0476	0.6648	0.6622
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0053	0.031	0.0238
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.07	1	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.031	0.031
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0146	0.1694	0.1694
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0053	0.031	0.0238
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0476	0.6648	0.6622
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1694	0.1694
Echinococcus granulosus	glutamate receptor 2	0.0053	0.031	0.0238
Echinococcus multilocularis	glutamate receptor 2	0.0053	0.031	0.0238
Schistosoma mansoni	metabotropic glutamate receptor	0.0476	0.6648	0.7188
Echinococcus granulosus	nmda type glutamate receptor	0.0053	0.031	0.0238
Echinococcus multilocularis	GPCR, family 3, C terminal	0.0092	0.0892	0.0824
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0053	0.031	0.0238
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0053	0.031	0.0238
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0053	0.031	0.0238
Echinococcus granulosus	glutamate receptor 2	0.0053	0.031	0.0238
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0053	0.031	0.0238
Onchocerca volvulus	Metabotropic glutamate receptor homolog	0.0092	0.0892	1
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0892	0.0892
Schistosoma mansoni	metabotropic glutamate receptor	0.0277	0.3663	0.3898
Brugia malayi	Guanylyl cyclase protein 23	0.0053	0.031	0.0296
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0053	0.031	0.031
Onchocerca volvulus	Poor gastrulation protein homolog	0.0092	0.0892	1
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0092	0.0892	0.1028
Echinococcus granulosus	tyrosine kinase	0.0053	0.031	0.0238
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0035	0.0037	0.5
Brugia malayi	metabotropic glutamate receptor type 2	0.0277	0.3663	0.451
Schistosoma mansoni	glutamate receptor NMDA	0.0053	0.031	0.0203
Echinococcus granulosus	GPCR family 3 C terminal	0.0092	0.0892	0.0824
Schistosoma mansoni	hypothetical protein	0.0092	0.0892	0.0844
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0053	0.031	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0053	0.031	0.031
Echinococcus multilocularis	nmda type glutamate receptor	0.0053	0.031	0.0238
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0035	0.0037	0.5
Echinococcus granulosus	receptor type guanylyl cyclase	0.0053	0.031	0.0238
Echinococcus multilocularis	tyrosine kinase	0.0053	0.031	0.0238
Loa Loa (eye worm)	hypothetical protein	0.07	1	1
Leishmania major	extracellular receptor, putative	0.0053	0.031	0.5
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0515	0.723	0.8993
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0053	0.031	0.0238
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0053	0.031	0.031
Loa Loa (eye worm)	hypothetical protein	0.0053	0.031	0.031
Brugia malayi	hypothetical protein	0.0053	0.031	0.0296
Brugia malayi	Receptor family ligand binding region containing protein	0.0146	0.1694	0.2035
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0038	0.0075	0.0075
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0146	0.1694	0.1694
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0053	0.031	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0053	0.031	0.031
Echinococcus multilocularis	glutamate receptor 2	0.0053	0.031	0.0238
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0053	0.031	0.031
Loa Loa (eye worm)	glutamate receptor	0.0224	0.2862	0.2862
Loa Loa (eye worm)	hypothetical protein	0.0053	0.031	0.031
Entamoeba histolytica	hypothetical protein	0.0053	0.031	0.5
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0053	0.031	0.0238

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)		Inhibition of rat brain FAAH assessed as [14C]anandamide hydrolysis	ChEMBL.	16279794
IC50 (binding)	0	Inhibition of anandamide membrane transporter in RBL-2H3 cells assessed as [14C]anandamide uptake	ChEMBL.	16279794
IC50 (binding)	0	Inhibition of rat brain FAAH assessed as [14C]anandamide hydrolysis	ChEMBL.	16279794
Ki (binding)		Displacement of [3H]CP-55,940 from human CB2 receptor expressed in COS cells	ChEMBL.	16279794
Ki (binding)		Displacement of [3H]CP-55,940 from human CB1 receptor expressed in COS cells	ChEMBL.	16279794
Ki (binding)	0	Displacement of [3H]CP-55,940 from human CB1 receptor expressed in COS cells	ChEMBL.	16279794
Ki (binding)	0	Displacement of [3H]CP-55,940 from human CB2 receptor expressed in COS cells	ChEMBL.	16279794

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: CHEMBL224296
PubChem: 11584536

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 419881