TDR Targets

Basic information

Technical information

TDR Targets ID: 166204
Name: N-[4-[2-[2-naphthalen-1-yloxyethyl(prop-2-eny l)amino]ethyl]phenyl]methanesulfonamide
MW: 424.556 | Formula: C24H28N2O3S
H donors: 1 H acceptors: 2 LogP: 4.75 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: C=CCN(CCc1ccc(cc1)NS(=O)(=O)C)CCOc1cccc2c1cccc2
InChi: 1S/C24H28N2O3S/c1-3-16-26(17-15-20-11-13-22(14-12-20)25-30(2,27)28)18-19-29-24-10-6-8-21-7-4-5-9-23(21)24/h3-14,25H,1,15-19H2,2H3
InChiKey: PRRBVCCRINORKH-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

N-[4-[2-[allyl-[2-(1-naphthyloxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
N-[4-[2-[allyl-[2-(1-naphthalenyloxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
N-[4-[2-[allyl-[2-(1-naphthoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
N-[4-[2-(2-naphthalen-1-yloxyethyl-prop-2-enylamino)ethyl]phenyl]methanesulfonamide
N-[4-[2-(2-naphthalen-1-yloxyethyl-prop-2-enyl-amino)ethyl]phenyl]methanesulfonamide

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
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0328	0.1228
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.023	0.0781
Schistosoma mansoni	hypothetical protein	0.0015	0.023	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0328	0.1228
Onchocerca volvulus		0.0028	0.0552	1
Schistosoma mansoni	transient receptor potential channel	0.0062	0.1433	0.142
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0685	0.2451
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0	0.5
Echinococcus multilocularis	geminin	0.0165	0.4048	0.4039
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1077	0.4646
Entamoeba histolytica	hypothetical protein	0.0109	0.2622	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.1352	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0735	0.3086
Schistosoma mansoni	hypothetical protein	0.0109	0.2622	0.261
Echinococcus multilocularis	transient receptor potential ion channel A	0.0091	0.2169	0.2157
Schistosoma mansoni	lipoxygenase	0.008	0.1887	0.1874
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.023	0.0215
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0	0.5
Schistosoma mansoni	polycystin 1-related	0.0019	0.0328	0.0313
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0	0.5
Echinococcus multilocularis	RUN	0.0019	0.0328	0.0313
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1077	0.3978
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0328	0.0313
Schistosoma mansoni	loxhd1	0.0019	0.0328	0.0313
Brugia malayi	hypothetical protein	0.0019	0.0328	0.106
Schistosoma mansoni	lipoxygenase	0.0115	0.2768	0.2757
Schistosoma mansoni	hypothetical protein	0.0165	0.4048	0.4039
Schistosoma mansoni	rab6-interacting	0.0019	0.0328	0.0313
Brugia malayi	Transient-receptor-potential like protein	0.0035	0.0735	0.2646
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0094	0.225	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.023	0.0215
Brugia malayi	hypothetical protein	0.0109	0.2622	1
Entamoeba histolytica	hypothetical protein	0.0109	0.2622	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0109	0.2622	0.261
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0328	0.1228
Schistosoma mansoni	hypothetical protein	0.0398	1	1
Schistosoma mansoni	cpg binding protein	0.003	0.0593	0.0578
Schistosoma mansoni	cpg binding protein	0.0028	0.0552	0.0537
Echinococcus granulosus	geminin	0.0165	0.4048	0.4039
Schistosoma mansoni	hypothetical protein	0.0015	0.023	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0015	0.023	0.0781
Brugia malayi	hypothetical protein	0.0019	0.0328	0.106
Echinococcus granulosus	cpg binding protein	0.003	0.0593	0.0578
Echinococcus granulosus	transient receptor potential ion channel A	0.0091	0.2169	0.2157
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0552	0.2249
Schistosoma mansoni	transient receptor potential channel 4	0.0094	0.225	0.2238
Echinococcus granulosus	short transient receptor potential channel 6	0.0062	0.1433	0.142
Schistosoma mansoni	transcription factor LCR-F1	0.0109	0.2622	0.261
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0	0.5
Echinococcus granulosus	transient receptor potential gamma protein	0.0094	0.225	0.2238
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0115	0.2768	0.2757
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0328	0.0313
Entamoeba histolytica	hypothetical protein	0.0109	0.2622	0.5
Echinococcus multilocularis	short transient receptor potential channel 6	0.0062	0.1433	0.142
Schistosoma mansoni	hypothetical protein	0.0015	0.023	0.0215
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0059	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0655	0.2719
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0059	0.0044
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0328	0.0313
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0	0.5
Entamoeba histolytica	hypothetical protein	0.0109	0.2622	0.5
Schistosoma mansoni	hypothetical protein	0.0015	0.023	0.0215
Brugia malayi	Doublecortin family protein	0.0019	0.0328	0.106
Echinococcus granulosus	short transient receptor potential channel 6	0.0062	0.1433	0.142
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1077	0.3978
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.023	0.0215
Schistosoma mansoni	transient receptor potential channel	0.0094	0.225	0.2238
Trichomonas vaginalis	helicase, putative	0.0006	0	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0	0.5
Echinococcus multilocularis	GPCR, family 2	0.0015	0.023	0.0215
Echinococcus multilocularis	dnaJ subfamily B	0.0398	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1077	0.4646
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0328	0.0313
Echinococcus multilocularis	transient receptor potential gamma protein	0.0094	0.225	0.2238
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0552	0.1932
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.023	0.0215
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0	0.5
Echinococcus multilocularis	cpg binding protein	0.003	0.0593	0.0578
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0035	0.0735	0.0721
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.119	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1353	0.5906
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.023	0.0678
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0109	0.2622	0.261
Schistosoma mansoni	hypothetical protein	0.0165	0.4048	0.4039
Schistosoma mansoni	hypothetical protein	0.0033	0.0685	0.067
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0685	0.2857
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0328	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.0328	0.0313
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.023	0.0678
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0	0.5
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0328	0.5
Echinococcus granulosus	GPCR family 2	0.0015	0.023	0.0215
Echinococcus granulosus	TRP transient receptor potential channel	0.0035	0.0735	0.0721
Echinococcus multilocularis	short transient receptor potential channel 6	0.0062	0.1433	0.142
Echinococcus granulosus	RUN	0.0019	0.0328	0.0313
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0	0.5
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0328	0.0313
Schistosoma mansoni	rab6-interacting	0.0019	0.0328	0.0313
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0328	0.0313
Schistosoma mansoni	transient receptor potential channel	0.0062	0.1433	0.142
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0	0.5
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0115	0.2768	0.2757
Schistosoma mansoni	cpg binding protein	0.003	0.0593	0.0578

Activities

Activity type	Activity value	Assay description	Source	Reference
C (functional)	= 0.315 uM	Effective concentration for delaying effective refractory period (ERP) 10 ms in guinea pig	ChEMBL.	12086482
Delta ERP (functional)	= 9.77 %	Percent change for delaying effective refractory period (ERP) in guinea pig at 10e-5 M concentration	ChEMBL.	12086482
Delta FC (functional)	= 16.7 %	Percent change of force of constriction measured in guinea pig at 10e-5 M concentration	ChEMBL.	12086482
Delta HR (functional)	= -15.2 %	Percent change in heart rate measured in guinea pig at 10e-5 M concentration	ChEMBL.	12086482

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: CHEMBL102204
PubChem: 11761673

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 166204