TDR Targets

Basic information

Technical information

TDR Targets ID: 1474441
Name: N-[(3-chloro-4-methoxyphenyl)methyl]-N-ethyle thanamine
MW: 227.73 | Formula: C12H18ClNO
H donors: 0 H acceptors: 0 LogP: 3.09 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCN(Cc1ccc(c(c1)Cl)OC)CC
InChi: 1S/C12H18ClNO/c1-4-14(5-2)9-10-6-7-12(15-3)11(13)8-10/h6-8H,4-5,9H2,1-3H3
InChiKey: KKQKOCCRHWUYJT-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-[(3-chloro-4-methoxy-phenyl)methyl]-N-ethyl-ethanamine
(3-chloro-4-methoxy-benzyl)-diethyl-amine
STOCK4S-37794

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
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.3202	0.3202
Giardia lamblia	Kinase, PLK	0.0095	0.1819	0.5
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0095	0.1819	0.1819
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1819	0.2476
Trichomonas vaginalis	beta-hexosaminidase, putative	0.0241	0.5926	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0095	0.1819	1
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1819	0.2476
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1819	0.2476
Echinococcus multilocularis	muscleblind protein 1	0.015	0.3375	0.3266
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1819	0.2476
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1819	0.2476
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1819	0.2476
Echinococcus multilocularis	beta hexosaminidase subunit alpha	0.0241	0.5926	0.5859
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0095	0.1819	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.3202	0.3202
Entamoeba histolytica	beta-N-acetylhexosaminidase, putative	0.0386	1	1
Entamoeba histolytica	beta-N-acetylhexosaminidase, putative	0.0386	1	1
Brugia malayi	hypothetical protein	0.0036	0.0162	0.0162
Trichomonas vaginalis	beta-hexosaminidase, putative	0.0241	0.5926	1
Brugia malayi	Glycosyl hydrolase family 20, catalytic domain containing protein	0.009	0.1663	0.1663
Brugia malayi	serine/threonine-protein kinase plk-2	0.0095	0.1819	0.1819
Echinococcus granulosus	muscleblind protein	0.015	0.3375	0.3266
Schistosoma mansoni	beta-hexosaminidase B	0.0386	1	1
Trypanosoma brucei	polo-like protein kinase	0.0095	0.1819	1
Brugia malayi	Muscleblind-like protein	0.015	0.3375	0.3375
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0095	0.1819	0.1684
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0095	0.1819	0.1684
Loa Loa (eye worm)	hypothetical protein	0.009	0.1663	0.1663
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1819	0.2476
Trichomonas vaginalis	beta-hexosaminidase B, putative	0.0241	0.5926	1
Echinococcus multilocularis	muscleblind protein	0.015	0.3375	0.3266
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0095	0.1819	0.1684
Loa Loa (eye worm)	glycosyl hydrolase family 20	0.0386	1	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0095	0.1819	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0	0.5
Echinococcus granulosus	beta hexosaminidase subunit alpha	0.0241	0.5926	0.5859
Echinococcus multilocularis	beta hexosaminidase subunit beta	0.0386	1	1
Echinococcus granulosus	beta hexosaminidase subunit beta	0.0386	1	1
Trichomonas vaginalis	beta-hexosaminidase, putative	0.0241	0.5926	1
Trichomonas vaginalis	beta-hexosaminidase, putative	0.009	0.1663	0.219
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0	0.5
Schistosoma mansoni	kinase	0.0048	0.0503	0.0346
Brugia malayi	MH2 domain containing protein	0.0144	0.3202	0.3202
Entamoeba histolytica	beta-N-acetylhexosaminidase, alpha subunit	0.0386	1	1
Schistosoma mansoni	beta-hexosaminidase B	0.0386	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.1819	0.1684
Loa Loa (eye worm)	hypothetical protein	0.009	0.1663	0.1663
Entamoeba histolytica	beta-N-acetylhexosaminidase, beta subunit	0.0386	1	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0095	0.1819	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3375	0.3375
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.015	0.3375	0.3375
Brugia malayi	Glycosyl hydrolase family 20, catalytic domain containing protein	0.009	0.1663	0.1663

Activities

No activities found for this compound.

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: CHEMBL1618076

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1474441