TDR Targets

Basic information

Technical information

TDR Targets ID: 185887
Name: ethyl 4-[(4-ethoxypyridin-2-yl)amino]piperidi ne-1-carboxylate
MW: 293.361 | Formula: C15H23N3O3
H donors: 1 H acceptors: 2 LogP: 2.33 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccnc(c1)NC1CCN(CC1)C(=O)OCC
InChi: 1S/C15H23N3O3/c1-3-20-13-5-8-16-14(11-13)17-12-6-9-18(10-7-12)15(19)21-4-2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,16,17)
InChiKey: KGIKZYZMTIMJTM-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

ethyl 4-[(4-ethoxy-2-pyridyl)amino]piperidine-1-carboxylate
4-[(4-ethoxy-2-pyridyl)amino]-1-piperidinecarboxylic acid ethyl ester
4-[(4-ethoxy-2-pyridyl)amino]piperidine-1-carboxylic acid ethyl ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nitric oxide synthase 2, inducible	Starlite/ChEMBL	References

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	conserved hypothetical protein	0.0034	0.003	0.0032
Echinococcus multilocularis	abhydrolase domain containing protein	0.0063	0.0089	0.0241
Leishmania major	hydrolase-like protein,esterase-like protein	0.0063	0.0089	0.0193
Loa Loa (eye worm)	lipase	0.0034	0.003	0.008
Leishmania major	hypothetical protein, conserved	0.0063	0.0089	0.0193
Giardia lamblia	Hypothetical protein	0.0034	0.003	0.1652
Mycobacterium ulcerans	haloalkane dehalogenase	0.0063	0.0089	0.0063
Schistosoma mansoni	family S33 non-peptidase homologue (S33 family)	0.0063	0.0089	1
Mycobacterium ulcerans	peroxidase BpoB	0.0063	0.0089	0.0063
Leishmania major	hypothetical protein, conserved	0.0063	0.0089	0.0193
Onchocerca volvulus	Lipase homolog	0.0063	0.0089	0.0162
Trypanosoma brucei	lipase-like protein, putative	0.0034	0.003	0.0011
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0063	0.0089	0.0193
Trypanosoma cruzi	lipase, putative	0.0034	0.003	0.0011
Brugia malayi	Lipase family protein	0.0034	0.003	0.008
Mycobacterium ulcerans	exported protease	0.0063	0.0089	0.0063
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0032	0.0025	0.0069
Leishmania major	hypothetical protein, conserved	0.0034	0.003	0.0032
Brugia malayi	Lipase family protein	0.1802	0.3681	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0034	0.003	0.0011
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.003	0.0032
Leishmania major	hypothetical protein, conserved	0.1802	0.3681	1
Schistosoma mansoni	lipase	0.0034	0.003	0.3341
Leishmania major	hydrolase-like protein,esterase-like protein	0.0063	0.0089	0.0193
Loa Loa (eye worm)	lipase	0.0034	0.003	0.008
Brugia malayi	Alpha/beta hydrolase	0.0063	0.0089	0.0241
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.003	0.0032
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0032	0.0025	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0089	0.0241
Trypanosoma cruzi	hydrolase-like protein, putative	0.0063	0.0089	0.0173
Mycobacterium tuberculosis	Conserved protein	0.0074	0.0113	0.0025
Trypanosoma brucei	lipase domain protein, putative	0.1802	0.3681	1
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.003	0.0032
Mycobacterium ulcerans	exported protease	0.0063	0.0089	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0025	0.0069
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.003	0.0032
Toxoplasma gondii	alpha/beta hydrolase, putative	0.0063	0.0089	1
Trypanosoma cruzi	lipase, putative	0.0034	0.003	0.0011
Echinococcus granulosus	abhydrolase domain containing protein 11	0.0063	0.0089	0.0241
Plasmodium falciparum	lipase, putative	0.0034	0.003	0.0649
Echinococcus multilocularis	abhydrolase domain containing protein 11	0.0063	0.0089	0.0241
Mycobacterium ulcerans	hypothetical protein	0.0063	0.0089	0.0063
Leishmania major	lipase, putative	0.0034	0.003	0.0032
Leishmania major	hypothetical protein, conserved	0.0034	0.003	0.0032
Brugia malayi	hydrolase, alpha/beta fold family protein	0.0063	0.0089	0.0241
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.003	0.0032
Entamoeba histolytica	hypothetical protein	0.0063	0.0089	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0063	0.0089	0.0193
Echinococcus multilocularis	sn1 specific diacylglycerol lipase beta	0.0034	0.003	0.008
Trypanosoma cruzi	lipase, putative	0.0034	0.003	0.0011
Leishmania major	hypothetical protein, unknown function	0.0034	0.003	0.0032
Trypanosoma cruzi	hydrolase-like protein	0.0063	0.0089	0.0173
Toxoplasma gondii	homoserine O-acetyltransferase, putative	0.0063	0.0089	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0063	0.0089	0.0063
Leishmania major	lipase domain protein, putative	0.0034	0.003	0.0032
Giardia lamblia	ENC6 protein	0.0063	0.0089	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0063	0.0089	0.0193
Mycobacterium ulcerans	hypothetical protein	0.0063	0.0089	0.0063
Brugia malayi	UPF0017 protein CG3488	0.0063	0.0089	0.0241
Brugia malayi	FAD binding domain containing protein	0.0032	0.0025	0.0069
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.0089	0.0173
Loa Loa (eye worm)	hydrolase	0.0063	0.0089	0.0241
Leishmania major	hypothetical protein, unknown function	0.0034	0.003	0.0032
Plasmodium vivax	hypothetical protein, conserved	0.0063	0.0089	1
Trypanosoma brucei	hydrolase, alpha/beta fold family, putative	0.0063	0.0089	0.0173
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0063	0.0089	0.5
Echinococcus granulosus	sn1 specific diacylglycerol lipase beta	0.0034	0.003	0.008
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.003	0.0032
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0063	0.0089	0.0193
Leishmania major	lipase precursor-like protein	0.0034	0.003	0.0032
Onchocerca volvulus		0.1802	0.3681	1
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0032	0.0025	0.0069
Mycobacterium ulcerans	lignin peroxidase LipJ	0.0063	0.0089	0.0063
Trypanosoma cruzi	lipase domain protein, putative	0.0034	0.003	0.0011
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.003	0.0032
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0032	0.0025	0.1073
Giardia lamblia	Hypothetical protein	0.0034	0.003	0.1652
Trypanosoma cruzi	hypothetical protein, conserved	0.0034	0.003	0.0011
Mycobacterium ulcerans	hypothetical protein	0.0063	0.0089	0.0063
Trypanosoma cruzi	hydrolase-like protein, putative	0.0063	0.0089	0.0173
Mycobacterium ulcerans	haloalkane dehalogenase	0.0063	0.0089	0.0063
Trypanosoma brucei	triacylglycerol lipase, putative	0.0034	0.003	0.0011
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0063	0.0089	0.0193
Brugia malayi	hydrolase, alpha/beta fold family protein	0.0063	0.0089	0.0241
Trichomonas vaginalis	lipase containing protein, putative	0.1802	0.3681	1
Trichomonas vaginalis	sulfite reductase, putative	0.0032	0.0025	0.0021
Mycobacterium ulcerans	epoxide hydrolase EphE	0.0063	0.0089	0.0063
Mycobacterium leprae	POSSIBLE EPOXIDE HYDROLASE EPHE (EPOXIDE HYDRATASE) (ARENE-OXIDE HYDRATASE)	0.0063	0.0089	0.5
Trypanosoma cruzi	lipase, putative	0.0034	0.003	0.0011
Plasmodium vivax	hypothetical protein, conserved	0.0063	0.0089	1
Trypanosoma cruzi	hydrolase, alpha/beta fold family, putative	0.0063	0.0089	0.0173
Trypanosoma cruzi	lipase-like protein, putative	0.0034	0.003	0.0011
Giardia lamblia	hypothetical protein	0.0034	0.003	0.1652
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0063	0.0089	0.0193
Mycobacterium ulcerans	epoxide hydrolase EphB	0.0063	0.0089	0.0063
Brugia malayi	Lipase family protein	0.0034	0.003	0.008
Trichomonas vaginalis	lipase containing protein, putative	0.0034	0.003	0.0032
Plasmodium falciparum	acid cluster protein 33 homologue, putative	0.0063	0.0089	1
Leishmania major	serine peptidase, putative,serine peptidase, Clan SC, Family S9D	0.0063	0.0089	0.0193
Mycobacterium ulcerans	proline iminopeptidase PIP	0.0063	0.0089	0.0063
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.0089	0.0173
Trypanosoma brucei	Triglyceride lipase, putative	0.0034	0.003	0.0011
Trypanosoma brucei	lipase, putative	0.0034	0.003	0.0011
Echinococcus multilocularis	lysosomal acid lipase:cholesteryl ester	0.0063	0.0089	0.0241
Trypanosoma cruzi	Lipase (class 3), putative	0.0034	0.003	0.0011
Plasmodium vivax	alpha/beta hydrolase, putative	0.0063	0.0089	1
Mycobacterium ulcerans	hydrolase	0.0063	0.0089	0.0063
Loa Loa (eye worm)	abhydrolase domain-containing protein 2	0.0063	0.0089	0.0241
Trypanosoma cruzi	Triglyceride lipase, putative	0.0034	0.003	0.0011
Leishmania major	hydrolase, alpha/beta fold family, putative	0.0063	0.0089	0.0193
Plasmodium falciparum	epoxide hydrolase 1	0.0063	0.0089	1
Echinococcus multilocularis	abhydrolase domain containing protein 16A	0.0063	0.0089	0.0241
Entamoeba histolytica	alpha/beta hydrolase domain protein, putative	0.0063	0.0089	1
Trypanosoma brucei	hydrolase, alpha/beta fold family, putative	0.0063	0.0089	0.0173
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.003	0.0032
Mycobacterium ulcerans	oxidoreductase	0.0063	0.0089	0.0063
Trypanosoma cruzi	lipase, putative	0.0034	0.003	0.0011
Mycobacterium ulcerans	acyl-CoA synthetase	0.0063	0.0089	0.0063
Plasmodium vivax	hypothetical protein, conserved	0.0034	0.003	0.1652
Brugia malayi	Lipase family protein	0.0034	0.003	0.008
Mycobacterium ulcerans	non-heme haloperoxidase Hpx	0.0063	0.0089	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0089	0.0241
Leishmania major	class 3 lipase, putative	0.0034	0.003	0.0032
Trypanosoma cruzi	lipase domain protein, putative	0.0034	0.003	0.0011
Loa Loa (eye worm)	ab-hydrolase associated lipase region family protein	0.0063	0.0089	0.0241
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.003	0.0032
Mycobacterium leprae	POSSIBLE SECRETED PROTEASE	0.0063	0.0089	0.5
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0063	0.0089	0.0063
Mycobacterium tuberculosis	4,9-DHSA hydrolase	0.4799	0.987	1
Mycobacterium tuberculosis	Probable haloalkane dehalogenase	0.0074	0.0113	0.0025
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.003	0.0032
Mycobacterium ulcerans	hypothetical protein	0.0063	0.0089	0.0063
Trypanosoma cruzi	hypothetical protein, conserved	0.0034	0.003	0.0011
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0032	0.0025	0.0069
Brugia malayi	alpha/beta hydrolase	0.0063	0.0089	0.0241
Mycobacterium ulcerans	lipase/esterase	0.0063	0.0089	0.0063
Mycobacterium tuberculosis	Possible haloalkane dehalogenase	0.0074	0.0113	0.0025
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.003	0.0032
Giardia lamblia	hypothetical protein	0.0034	0.003	0.1652
Mycobacterium ulcerans	hydrolase	0.0063	0.0089	0.0063
Mycobacterium ulcerans	lipase/esterase	0.0063	0.0089	0.0063
Trypanosoma cruzi	hypothetical protein, conserved	0.1802	0.3681	1
Echinococcus granulosus	lysosomal acid lipase:cholesteryl ester	0.0063	0.0089	0.0241
Trypanosoma brucei	lipase domain protein, putative	0.0034	0.003	0.0011
Giardia lamblia	Hypothetical protein	0.0034	0.003	0.1652
Leishmania major	hydrolase-like protein	0.0063	0.0089	0.0193
Trypanosoma cruzi	hypothetical protein, conserved	0.1802	0.3681	1
Echinococcus granulosus	abhydrolase domain containing protein 3	0.0063	0.0089	0.0241
Trypanosoma cruzi	lipase, putative	0.0034	0.003	0.0011
Leishmania major	hydrolase, alpha/beta fold family-like protein	0.0063	0.0089	0.0193
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0063	0.0089	0.0193
Mycobacterium ulcerans	homoserine O-acetyltransferase	0.0063	0.0089	0.0063
Brugia malayi	Lipase family protein	0.0034	0.003	0.008
Brugia malayi	Hypothetical 54.7 kDa protein F37A4.1 in chromosome III	0.0063	0.0089	0.0241
Leishmania major	hypothetical protein, conserved	0.0034	0.003	0.0032
Trypanosoma brucei	lipase domain protein, putative	0.1802	0.3681	1
Schistosoma mansoni	cytochrome P450 reductase	0.0032	0.0025	0.2879
Mycobacterium leprae	Probable exported protease	0.0063	0.0089	0.5
Trypanosoma brucei	Triglyceride lipase, putative	0.0034	0.003	0.0011
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.003	0.0032
Mycobacterium ulcerans	bromoperoxidase BpoC	0.0063	0.0089	0.0063
Chlamydia trachomatis	sulfite reductase	0.002	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.003	0.0032
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0032	0.0025	0.0069
Trypanosoma cruzi	lipase, putative	0.0034	0.003	0.0011
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0063	0.0089	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.0089	0.0173
Mycobacterium tuberculosis	Probable oxidoreductase	0.0074	0.0113	0.0025
Onchocerca volvulus	Lipase homolog	0.0063	0.0089	0.0162
Brugia malayi	flavodoxin family protein	0.0032	0.0025	0.0069
Mycobacterium leprae	Probable homoserine o-acetyltransferase MetA	0.0063	0.0089	0.5
Schistosoma mansoni	hydrolase	0.0063	0.0089	1
Echinococcus multilocularis	abhydrolase domain containing protein 3	0.0063	0.0089	0.0241
Echinococcus granulosus	sn1 specific diacylglycerol lipase beta	0.1802	0.3681	1
Trypanosoma brucei	hypothetical protein, conserved	0.0034	0.003	0.0011
Echinococcus multilocularis	sn1 specific diacylglycerol lipase beta	0.1802	0.3681	1
Leishmania major	p450 reductase, putative	0.0032	0.0025	0.0021
Onchocerca volvulus	Epoxide hydrolase 1 homolog	0.0063	0.0089	0.0162
Echinococcus multilocularis	lysosomal acid lipase:cholesteryl ester	0.0063	0.0089	0.0241
Leishmania major	lipase, putative;with=GeneDB:LinJ31_V3.0860	0.0034	0.003	0.0032
Echinococcus granulosus	abhydrolase domain containing protein	0.0063	0.0089	0.0241
Mycobacterium leprae	Probable exported protease	0.0063	0.0089	0.5
Trichomonas vaginalis	lipase containing protein, putative	0.1802	0.3681	1
Loa Loa (eye worm)	lipase	0.1802	0.3681	1
Echinococcus multilocularis	abhydrolase domain containing 3	0.0063	0.0089	0.0241
Plasmodium vivax	hypothetical protein, conserved	0.0063	0.0089	1
Trypanosoma brucei	Lipase (class 3), putative	0.0034	0.003	0.0011
Entamoeba histolytica	alpha/beta hydrolase fold protein, putative	0.0063	0.0089	1
Mycobacterium ulcerans	epoxide hydrolase EphF	0.0063	0.0089	0.0063
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0032	0.0025	0.0069
Trypanosoma cruzi	lipase, putative	0.0034	0.003	0.0011
Trichomonas vaginalis	hydrolase, putative	0.0063	0.0089	0.0193

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3.8 uM	In vitro inhibition of human Inducible nitric oxide synthase.	ChEMBL.	15163211
IC50 (binding)	= 3.8 uM	In vitro inhibition of human Inducible nitric oxide synthase.	ChEMBL.	15163211
IC50 (binding)	= 96 uM	In vitro inhibition of human neuronal nitric oxide synthase.	ChEMBL.	15163211
IC50 (binding)	= 96 uM	In vitro inhibition of human neuronal nitric oxide synthase.	ChEMBL.	15163211
IC50 (binding)	> 100 uM	In vitro inhibition of human endothelial nitric oxide synthase.	ChEMBL.	15163211
IC50 (binding)	> 100 uM	In vitro inhibition of human endothelial nitric oxide synthase.	ChEMBL.	15163211
Inhibition (binding)	< 20 %	Percentage inhibition of human endothelial nitric oxide synthase (eNOS) at 100 microM	ChEMBL.	15163211
Inhibition (binding)	< 20 %	Percentage inhibition of human endothelial nitric oxide synthase (eNOS) at 100 microM	ChEMBL.	15163211

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: CHEMBL112198
PubChem: 11369870

Bibliographic References

1 literature reference was 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 185887