TDR Targets

Basic information

Technical information

TDR Targets ID: 714626
Name: ethyl 1-[3-(4-bromophenoxy)propyl]piperidine- 4-carboxylate
MW: 370.281 | Formula: C17H24BrNO3
H donors: 0 H acceptors: 1 LogP: 3.69 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1CCN(CC1)CCCOc1ccc(cc1)Br
InChi: 1S/C17H24BrNO3/c1-2-21-17(20)14-8-11-19(12-9-14)10-3-13-22-16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13H2,1H3
InChiKey: TXAWHDWYEKEMJS-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1-[3-(4-bromophenoxy)propyl]-4-piperidinecarboxylic acid ethyl ester
1-[3-(4-bromophenoxy)propyl]isonipecotic acid ethyl ester

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
Schistosoma mansoni	gliotactin	0.0055	0.1301	0.1301
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0008	0.0008
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.037	1
Schistosoma mansoni	cpg binding protein	0.0029	0.0655	0.0655
Brugia malayi	Carboxylesterase family protein	0.0055	0.1301	0.1594
Loa Loa (eye worm)	hypothetical protein	0.0323	0.8161	1
Echinococcus granulosus	neuroligin	0.0055	0.1301	0.1301
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0067	0.0514
Brugia malayi	Carboxylesterase family protein	0.0323	0.8161	1
Onchocerca volvulus		0.0055	0.1301	1
Onchocerca volvulus		0.0055	0.1301	1
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.037	0.2847
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.037	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.037	0.0454
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0067	0.0514
Echinococcus granulosus	para nitrobenzyl esterase	0.0055	0.1301	0.1301
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0082	0.0082
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.037	0.2847
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0055	0.1301	0.1301
Loa Loa (eye worm)	carboxylesterase	0.0055	0.1301	0.1594
Echinococcus multilocularis	acetylcholinesterase	0.0323	0.8161	0.8161
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0067	0.0514
Onchocerca volvulus		0.0028	0.0615	0.4727
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0067	0.0514
Echinococcus multilocularis	neuroligin	0.0055	0.1301	0.1301
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0055	0.1301	0.1301
Echinococcus granulosus	acetylcholinesterase	0.0323	0.8161	0.8161
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.037	0.037
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0067	0.0514
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0067	0.0514
Brugia malayi	Carboxylesterase family protein	0.0055	0.1301	0.1594
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1301	0.1594
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0067	0.0514
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0615	0.0754
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.1249	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0055	0.1301	1
Schistosoma mansoni	ap endonuclease	0.0018	0.037	0.037
Echinococcus multilocularis	para nitrobenzyl esterase	0.0055	0.1301	0.1301
Loa Loa (eye worm)	carboxylesterase	0.0323	0.8161	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0055	0.1301	0.1301
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1301	0.1594
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.037	0.2847
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.037	0.5
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.037	0.0454
Toxoplasma gondii	exonuclease III APE	0.0018	0.037	0.2966
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0323	0.8161	0.8161
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1301	0.1594
Echinococcus granulosus	cpg binding protein	0.0029	0.0655	0.0655
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.037	0.037
Echinococcus multilocularis	acetylcholinesterase	0.0323	0.8161	0.8161
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0067	0.0514
Schistosoma mansoni	ap endonuclease	0.0018	0.037	0.037
Brugia malayi	Carboxylesterase family protein	0.0055	0.1301	0.1594
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.037	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0055	0.1301	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.037	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0055	0.1301	0.1301
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.037	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1301	0.1594
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0067	0.0514
Schistosoma mansoni	cpg binding protein	0.0029	0.0655	0.0655
Echinococcus multilocularis	dnaJ subfamily B	0.0395	1	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.037	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0055	0.1301	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.037	1
Onchocerca volvulus		0.0055	0.1301	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0323	0.8161	1
Brugia malayi	F/Y-rich N-terminus family protein	0.0008	0.0123	0.015
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0055	0.1301	0.1301
Loa Loa (eye worm)	carboxylesterase	0.0055	0.1301	0.1594
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0055	0.1301	0.1301
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0067	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1301	0.1594
Trichomonas vaginalis	helicase, putative	0.0006	0.0067	0.0514
Schistosoma mansoni	cpg binding protein	0.0028	0.0615	0.0615
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0067	0.0514
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0067	0.0514
Brugia malayi	hypothetical protein	0.0055	0.1301	0.1594
Schistosoma mansoni	acetylcholinesterase	0.0055	0.1301	0.1301
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.037	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0055	0.1301	0.1301
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.037	1
Onchocerca volvulus		0.0055	0.1301	1
Loa Loa (eye worm)	hypothetical protein	0.0323	0.8161	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0067	0.0514
Echinococcus granulosus	BC026374 protein S09 family	0.0055	0.1301	0.1301
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1301	0.1594
Schistosoma mansoni	BC026374 protein (S09 family)	0.0055	0.1301	0.1301
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.141	0.141
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0055	0.1301	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0055	0.1301	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0126	0.0126
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0067	0.0514
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0082	0.0082
Echinococcus granulosus	acetylcholinesterase	0.0323	0.8161	0.8161
Echinococcus multilocularis	carboxylesterase 5A	0.0323	0.8161	0.8161
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0067	0.0514
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0126	0.0126
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0615	0.0754
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0055	0.1301	1
Onchocerca volvulus		0.0055	0.1301	1
Echinococcus multilocularis	cpg binding protein	0.0029	0.0655	0.0655
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0067	0.0514
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1301	0.1594
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0067	0.0514
Echinococcus granulosus	carboxylesterase 5A	0.0323	0.8161	0.8161
Schistosoma mansoni	hypothetical protein	0.0395	1	1
Brugia malayi	Carboxylesterase family protein	0.0055	0.1301	0.1594
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0126	0.0154
Brugia malayi	Carboxylesterase family protein	0.0323	0.8161	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0082	0.0082

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

Search by Saint Jude

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 714626