TDR Targets

Basic information

Technical information

TDR Targets ID: 108157
Name: N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethy lamino]ethoxy]phenyl]methanesulfonamide
MW: 427.538 | Formula: C18H25N3O5S2
H donors: 3 H acceptors: 4 LogP: 1.35 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CS(=O)(=O)Nc1ccc(cc1)CCNCCOc1ccc(cc1)NS(=O)(=O)C
InChi: 1S/C18H25N3O5S2/c1-27(22,23)20-16-5-3-15(4-6-16)11-12-19-13-14-26-18-9-7-17(8-10-18)21-28(2,24)25/h3-10,19-21H,11-14H2,1-2H3
InChiKey: JITIJIUDNAYXKK-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-[2-[4-(methylsulfonylamino)phenyl]ethylamino]ethoxy]phenyl]methanesulfonamide
N-[4-[2-[2-(4-methanesulfonamidophenyl)ethylamino]ethoxy]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
Trypanosoma cruzi	cytosolic leucyl aminopeptidase, putative	0.0785	0.1239	0.1802
Schistosoma mansoni	PwLAP aminopeptidase (M17 family)	0.0156	0.0212	0.0212
Echinococcus multilocularis	leucyl aminopeptidase	0.0156	0.0212	0.0212
Loa Loa (eye worm)	glutaminase	0.033	0.0496	0.0496
Echinococcus multilocularis	dihydrofolate reductase	0.6141	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0035	0.0035
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0091	0.0105	0.0105
Plasmodium falciparum	M17 leucyl aminopeptidase	0.0785	0.1239	0.1802
Echinococcus multilocularis	thymidylate synthase	0.1272	0.2036	0.2036
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.3941	0.6401	1
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0091	0.0105	0.0105
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0091	0.0105	0.0105
Loa Loa (eye worm)	dihydrofolate reductase	0.6141	1	1
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.1272	0.2036	0.2036
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.0029	0.0029
Trypanosoma cruzi	metallo-peptidase, Clan MF, Family M17	0.0156	0.0212	0.0169
Trypanosoma brucei	metallo-peptidase, Clan MF, Family M17	0.0785	0.1239	0.1802
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0091	0.0105	0.088
Leishmania major	cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17	0.0785	0.1239	0.1802
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.3941	0.6401	1
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0091	0.0105	0.0105
Loa Loa (eye worm)	aminopeptidase in chromosome V	0.0156	0.0212	0.0212
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0091	0.0105	0.0105
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0091	0.0105	0.0105
Trypanosoma brucei	metallo-peptidase, Clan MF, Family M17	0.0156	0.0212	0.0169
Trypanosoma cruzi	metallo-peptidase, Clan MF, Family M17	0.0156	0.0212	0.0169
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.1272	0.2036	0.091
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.2312	0.3737	0.5769
Toxoplasma gondii	aminopeptidase N, putative	0.2312	0.3737	0.4839
Brugia malayi	thymidylate synthase	0.1272	0.2036	0.2036
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0091	0.0105	0.0105
Mycobacterium ulcerans	glutaminase	0.033	0.0496	0.0395
Echinococcus granulosus	leucine aminopeptidase protein	0.0785	0.1239	0.1239
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.3941	0.6401	1
Toxoplasma gondii	aminopeptidase n, putative	0.2312	0.3737	0.4839
Chlamydia trachomatis	dihydrofolate reductase	0.6141	1	1
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0091	0.0105	0.088
Loa Loa (eye worm)	aminopeptidase N	0.0091	0.0105	0.0105
Brugia malayi	Peptidase family M1 containing protein	0.0091	0.0105	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0105	0.0105
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17	0.0156	0.0212	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0105	0.0105
Schistosoma mansoni	dihydrofolate reductase	0.6141	1	1
Mycobacterium ulcerans	leucyl aminopeptidase	0.0785	0.1239	0.1146
Brugia malayi	Peptidase family M1 containing protein	0.0091	0.0105	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0019	0.0019
Loa Loa (eye worm)	TATA binding protein associated factor	0.0091	0.0105	0.0105
Trichomonas vaginalis	glutaminase, putative	0.033	0.0496	0.5119
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0091	0.0105	0.0105
Echinococcus granulosus	dihydrofolate reductase	0.6141	1	1
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17	0.0156	0.0212	0.0169
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.0029	0.0029
Loa Loa (eye worm)	thymidylate synthase	0.1272	0.2036	0.2036
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.6141	1	1
Mycobacterium tuberculosis	Probable aminopeptidase PepB	0.0785	0.1239	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0105	0.0105
Trypanosoma brucei	aminopeptidase, putative	0.0156	0.0212	0.0169
Brugia malayi	Peptidase family M1 containing protein	0.0091	0.0105	0.0105
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0091	0.0105	0.0105
Brugia malayi	hypothetical protein	0.0091	0.0105	0.0105
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.0029	0.0029
Brugia malayi	Dihydrofolate reductase	0.6141	1	1
Echinococcus granulosus	leucyl aminopeptidase	0.0156	0.0212	0.0212
Schistosoma mansoni	leucine aminopeptidase	0.0156	0.0212	0.0212
Plasmodium vivax	M17 leucyl aminopeptidase, putative	0.0785	0.1239	0.1802
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0091	0.0105	0.0105
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.6141	1	1
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0605	0.0945	0.1335
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0091	0.0105	0.0105
Onchocerca volvulus		0.0091	0.0105	0.0515
Echinococcus granulosus	aminopeptidase N	0.0091	0.0105	0.0105
Echinococcus multilocularis	aminopeptidase N	0.0091	0.0105	0.0105
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.2312	0.3737	0.5769
Brugia malayi	Aminopeptidase ZK353.6 in chromosome III	0.0156	0.0212	0.0212
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0091	0.0105	0.0105
Echinococcus multilocularis	leucyl aminopeptidase	0.0156	0.0212	0.0212
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0091	0.0105	0.0105
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17	0.0156	0.0212	0.0169
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.0029	0.0029
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.3941	0.6401	1
Brugia malayi	hypothetical protein	0.0605	0.0945	0.0945
Brugia malayi	Aminopeptidase W07G4.4 in chromosome V	0.0156	0.0212	0.0212
Entamoeba histolytica	aminopeptidase, putative	0.0091	0.0105	0.5
Echinococcus granulosus	leucyl aminopeptidase	0.0156	0.0212	0.0212
Brugia malayi	cytosol aminopeptidase	0.0156	0.0212	0.0212
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0091	0.0105	0.0105
Trypanosoma brucei	metallo-peptidase, Clan MF, Family M17	0.0156	0.0212	0.0169
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.3941	0.6401	1
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0091	0.0105	0.0105
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0091	0.0105	0.0105
Loa Loa (eye worm)	aminopeptidase in chromosome III	0.0156	0.0212	0.0212
Brugia malayi	glutaminase DH11.1	0.033	0.0496	0.0496
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0091	0.0105	0.0105
Brugia malayi	hypothetical protein	0.0091	0.0105	0.0105
Brugia malayi	TATA binding protein associated factor	0.0091	0.0105	0.0105
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0091	0.0105	0.0105
Mycobacterium ulcerans	thymidylate synthase	0.1272	0.2036	0.1952
Trypanosoma cruzi	metallo-peptidase, Clan MF, Family M17, putative	0.0785	0.1239	0.1802
Onchocerca volvulus		0.0091	0.0105	0.0515
Echinococcus multilocularis	leucine aminopeptidase protein	0.0785	0.1239	0.1239
Wolbachia endosymbiont of Brugia malayi	leucyl aminopeptidase	0.0785	0.1239	0.5
Echinococcus granulosus	ankyrin repeat domain containing protein 17	0.0156	0.0212	0.0212
Loa Loa (eye worm)	glutaminase 2	0.033	0.0496	0.0496
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0091	0.0105	0.0105
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.3941	0.6401	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0091	0.0105	0.0105
Echinococcus granulosus	thymidylate synthase	0.1272	0.2036	0.2036
Onchocerca volvulus		0.0091	0.0105	0.0515
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0091	0.0105	0.0105
Schistosoma mansoni	glutaminase	0.033	0.0496	0.0496
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.6141	1	1
Toxoplasma gondii	aminopeptidase N protein	0.2312	0.3737	0.4839
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0156	0.0212	0.0212
Echinococcus multilocularis	leucyl aminopeptidase	0.0156	0.0212	0.0212
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0035	0.0035
Trichomonas vaginalis	conserved hypothetical protein	0.0605	0.0945	1
Onchocerca volvulus		0.1272	0.2036	1
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.1272	0.2036	0.1205
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0091	0.0105	0.088

Activities

Activity type	Activity value	Assay description	Source	Reference
C (functional)	= 0.023 uM	Effective concentration for delaying effective refractory period (ERP) 10 ms in guinea pig	ChEMBL.	12086482
Delta ERP (functional)	= 9.39 %	Percent change for delaying effective refractory period (ERP) in guinea pig at 10e-5 M concentration	ChEMBL.	12086482
Delta FC (functional)	= 33.7 %	Percent change of force of constriction measured in guinea pig at 10e-5 M concentration	ChEMBL.	12086482
Delta HR (functional)	= -23.8 %	Percent change in heart rate measured in guinea pig at 10e-5 M concentration	ChEMBL.	12086482
EA (functional)	= 7.63	Negative log of concentration (-logC)for delaying functional refractory period 10 ms in animal atrium	ChEMBL.	11012018
EC20 (functional)	= 0.015 uM	Dose required to produce 20% increase in effective refractory period in male ferret.	ChEMBL.	11133100
Effective concentration (functional)	= 0.023 uM	Tested for its effective concentration for delaying functional refractory period 10 ms in animal atrium	ChEMBL.	11012018
Tension (functional)	= 5 %	Peak isometric tension during the basic stimulus trains (S1) during control and compound induced tension, expressed as percent control.	ChEMBL.	11133100

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: CHEMBL992
PubChem: 10455225

Bibliographic References

3 literature references were 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 108157