TDR Targets

Basic information

Technical information

TDR Targets ID: 1673740
Name: N-[2-(4-bromophenyl)ethyl]-N-methyl-2-piperid in-1-ylethanamine hydrobromide
MW: 406.199 | Formula: C16H26Br2N2
H donors: 0 H acceptors: 0 LogP: 4.76 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCc1ccc(cc1)Br)CCN1CCCCC1.Br
InChi: 1S/C16H25BrN2.BrH/c1-18(13-14-19-10-3-2-4-11-19)12-9-15-5-7-16(17)8-6-15;/h5-8H,2-4,9-14H2,1H3;1H
InChiKey: IRLIXMKZWHLEAI-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-[2-(4-bromophenyl)ethyl]-N-methyl-2-(1-piperidyl)ethanamine hydrobromide
2-(4-bromophenyl)ethyl-methyl-(2-piperidinoethyl)amine hydrobromide
N-[2-(4-bromophenyl)ethyl]-N-methyl-2-piperidin-1-yl-ethanamine hydrobromide
NSC665371

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
Trichomonas vaginalis	CMGC family protein kinase	0.0515	1	1
Entamoeba histolytica	protein kinase domain containing protein	0.0018	0.0093	1
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0013	0	0.5
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0018	0.0093	0.0093
Entamoeba histolytica	hypothetical protein	0.0014	0.0029	0.3154
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0515	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0515	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0515	1	1
Onchocerca volvulus		0.0013	0	0.5
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0515	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0515	1	1
Onchocerca volvulus		0.0013	0	0.5
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0515	1	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0515	1	1
Entamoeba histolytica	hypothetical protein	0.0014	0.0029	0.3154
Onchocerca volvulus		0.0013	0	0.5
Onchocerca volvulus		0.0013	0	0.5
Echinococcus granulosus	mitogen activated protein kinase	0.0515	1	1
Onchocerca volvulus		0.0013	0	0.5
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0013	0	0.5
Onchocerca volvulus		0.0013	0	0.5
Onchocerca volvulus		0.0013	0	0.5
Entamoeba histolytica	hypothetical protein	0.0014	0.0029	0.3154
Schistosoma mansoni	protein kinase	0.0018	0.0093	0.0093
Onchocerca volvulus		0.0013	0	0.5
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0515	1	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0018	0.0093	0.0093
Trypanosoma brucei	protein kinase, putative	0.0515	1	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0515	1	1
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0018	0.0093	0.0093
Trypanosoma brucei	protein kinase, putative	0.0018	0.0093	0.0093
Echinococcus granulosus	dual specificity testis-specific protein kinase	0.0018	0.0093	0.0093
Onchocerca volvulus		0.0013	0	0.5
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0515	1	1
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0013	0	0.5
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0515	1	1
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0018	0.0093	0.0093
Onchocerca volvulus		0.0013	0	0.5
Onchocerca volvulus	Tyrosine kinase homolog	0.0013	0	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0515	1	1
Plasmodium vivax	protein kinase, putative	0.0013	0	0.5
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0018	0.0093	0.0093
Trichomonas vaginalis	CMGC family protein kinase	0.0515	1	1
Onchocerca volvulus		0.0013	0	0.5
Entamoeba histolytica	leucine-rich repeat domain-containing protein	0.0014	0.0029	0.3154
Onchocerca volvulus		0.0013	0	0.5
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0515	1	1
Echinococcus multilocularis	dual specificity testis specific protein kinase	0.0018	0.0093	0.0093
Plasmodium falciparum	protein kinase, putative	0.0018	0.0093	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0515	1	1
Echinococcus granulosus	activin receptor type	0.0018	0.0093	0.0093
Schistosoma mansoni	protein kinase	0.0018	0.0093	0.0093
Echinococcus multilocularis	activin receptor type	0.0018	0.0093	0.0093
Onchocerca volvulus		0.0013	0	0.5
Giardia lamblia	Kinase, CMGC MAPK	0.0515	1	1
Entamoeba histolytica	protein kinase, putative	0.0014	0.0029	0.3154
Onchocerca volvulus		0.0013	0	0.5
Onchocerca volvulus	Tyrosine kinase receptor Cad96Ca homolog	0.0013	0	0.5
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0515	1	1
Schistosoma mansoni	protein kinase	0.0018	0.0093	0.0093
Leishmania major	protein kinase, putative	0.0018	0.0093	0.0093
Onchocerca volvulus		0.0013	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.828	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.752	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.645	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.643	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.564	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.496	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.443	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.204	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.091	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.002	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1996149

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1673740