TDR Targets

Basic information

Technical information

TDR Targets ID: 713174
Name: ethyl 1-[3-(3-methoxyphenoxy)propyl]piperidin e-4-carboxylate
MW: 321.411 | Formula: C18H27NO4
H donors: 0 H acceptors: 1 LogP: 2.97 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1CCN(CC1)CCCOc1cccc(c1)OC
InChi: 1S/C18H27NO4/c1-3-22-18(20)15-8-11-19(12-9-15)10-5-13-23-17-7-4-6-16(14-17)21-2/h4,6-7,14-15H,3,5,8-13H2,1-2H3
InChiKey: KIUGHXTVDALDKR-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

1-[3-(3-methoxyphenoxy)propyl]-4-piperidinecarboxylic acid ethyl ester
1-[3-(3-methoxyphenoxy)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
Trichomonas vaginalis	inositol monophosphatase, putative	0.0038	0.0094	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0031	0.3749
Plasmodium vivax	hypothetical protein, conserved	0.0011	0.001	0.2993
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0053	0.5587
Echinococcus multilocularis	SWI:SNF matrix associated	0.0011	0.001	0.001
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0053	0.5587
Echinococcus granulosus	geminin	0.0176	0.051	0.051
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0038	0.0094	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0011	0.001	0.001
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0038	0.0094	1
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0011	0.001	0.1074
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0053	0.6416
Loa Loa (eye worm)	inositol-1	0.0038	0.0094	0.0094
Loa Loa (eye worm)	STE/STE11/ASK protein kinase	0.1005	0.3011	0.3015
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0094	1
Brugia malayi	brahma associated protein 60 kDa	0.0011	0.001	0.001
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0053	0.6416
Echinococcus granulosus	SWI:SNF matrix associated	0.0011	0.001	0.001
Brugia malayi	Inositol-1	0.0038	0.0094	0.0094
Onchocerca volvulus		0.0025	0.0053	0.1152
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0031	0.3749
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0053	0.0053
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.332	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0053	0.5587
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.1005	0.3011	1
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0034	1
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.332	1	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0031	0.3749
Brugia malayi	hypothetical protein	0.0158	0.0456	0.0456
Loa Loa (eye worm)	hypothetical protein	0.1	0.2996	0.3
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0053	0.5587
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0456	0.0456
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0094	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0011	0.001	0.2993
Loa Loa (eye worm)	hypothetical protein	0.3315	0.9985	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0053	0.5587
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0053	0.5587
Loa Loa (eye worm)	brahma associated protein	0.0011	0.001	0.001
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0034	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0053	0.5587
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0053	0.6416
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0034	0.0034
Schistosoma mansoni	brg-1 associated factor	0.0011	0.001	0.001
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0094	0.0312
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0094	1
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0034	0.0082	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0011	0.001	0.001
Schistosoma mansoni	protein kinase	0.332	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0053	0.0053
Onchocerca volvulus		0.0011	0.001	0.0221
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0094	0.0312
Schistosoma mansoni	hypothetical protein	0.0011	0.001	0.001
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0031	0.3749
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0053	0.5587
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0011	0.001	0.001
Echinococcus multilocularis	SWI:SNF matrix associated	0.0011	0.001	0.001
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0053	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0034	0.0034
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0038	0.0094	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0011	0.001	0.2993
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0094	1
Brugia malayi	brahma associated protein 60 kDa	0.0011	0.001	0.001
Onchocerca volvulus		0.0158	0.0456	1
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0011	0.001	0.1074
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0011	0.001	0.2993
Echinococcus multilocularis	geminin	0.0176	0.051	0.051
Schistosoma mansoni	hypothetical protein	0.0011	0.001	0.001
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0053	0.5587
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0034	0.0082	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.1005	0.3011	1
Schistosoma mansoni	hypothetical protein	0.0011	0.001	0.001
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0034	0.412
Schistosoma mansoni	hypothetical protein	0.0176	0.051	0.051
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0034	0.3588
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0034	0.0034
Brugia malayi	SWIB/MDM2 domain containing protein	0.0011	0.001	0.001
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0053	0.5587
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0053	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0034	0.0034
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0034	1
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0053	0.5587
Schistosoma mansoni	hypothetical protein	0.0176	0.051	0.051
Echinococcus granulosus	inositol monophosphatase 1	0.0038	0.0094	0.0094
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0038	0.0094	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0053	0.5587
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0053	0.5587
Schistosoma mansoni	protein kinase	0.332	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0053	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0034	0.0034
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0053	0.6416
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.001	0.1074
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0053	0.5587
Echinococcus multilocularis	SWI:SNF matrix associated	0.0011	0.001	0.001
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0053	0.0053
Echinococcus multilocularis	inositol monophosphatase 1	0.0038	0.0094	0.0094
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0094	0.0094
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0094	0.0094

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 713174