TDR Targets

Basic information

Technical information

TDR Targets ID: 186413
Name: ethyl 4-(pyridin-2-ylamino)piperidine-1-carbo xylate
MW: 249.309 | Formula: C13H19N3O2
H donors: 1 H acceptors: 2 LogP: 1.99 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)N1CCC(CC1)Nc1ccccn1
InChi: 1S/C13H19N3O2/c1-2-18-13(17)16-9-6-11(7-10-16)15-12-5-3-4-8-14-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,14,15)
InChiKey: LIKFZBWZGQWAMR-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

ethyl 4-(2-pyridylamino)piperidine-1-carboxylate
4-(2-pyridylamino)-1-piperidinecarboxylic acid ethyl ester
4-(2-pyridylamino)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
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.103	0.103
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0032	1	0.5
Onchocerca volvulus		0.0018	0.103	0.5
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0018	0.103	0.103
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0018	0.103	0.103
Schistosoma mansoni	neuropeptide f receptor 76f	0.0018	0.103	0.103
Schistosoma mansoni	amine GPCR	0.0018	0.103	0.103
Schistosoma mansoni	hypothetical protein	0.0018	0.103	0.103
Trichomonas vaginalis	sulfite reductase, putative	0.0032	1	1
Schistosoma mansoni	amine GPCR	0.0018	0.103	0.103
Plasmodium falciparum	nitric oxide synthase, putative	0.0032	1	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0018	0.103	0.103
Echinococcus granulosus	methionine synthase reductase	0.002	0.2291	0.1406
Schistosoma mansoni	neuropeptide receptor	0.0018	0.103	0.103
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0032	1	0.5
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0032	1	0.5
Schistosoma mansoni	adenoreceptor	0.0018	0.103	0.103
Schistosoma mansoni	opsin-like receptor	0.0018	0.103	0.103
Schistosoma mansoni	neuropeptide receptor	0.0018	0.103	0.103
Onchocerca volvulus		0.0018	0.103	0.5
Schistosoma mansoni	biogenic amine receptor	0.0018	0.103	0.103
Schistosoma mansoni	myosin xvIII	0.0018	0.103	0.103
Onchocerca volvulus		0.0018	0.103	0.5
Leishmania major	p450 reductase, putative	0.0032	1	1
Onchocerca volvulus		0.0018	0.103	0.5
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0018	0.103	0.103
Giardia lamblia	Hypothetical protein	0.0029	0.7709	0.5
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0032	1	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0018	0.103	0.103
Onchocerca volvulus		0.0018	0.103	0.5
Schistosoma mansoni	growth hormone secretagogue receptor	0.0018	0.103	0.103
Onchocerca volvulus		0.0018	0.103	0.5
Schistosoma mansoni	neuropeptide receptor	0.0018	0.103	0.103
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.103	0.103
Brugia malayi	FAD binding domain containing protein	0.002	0.2291	0.1406
Schistosoma mansoni	amine GPCR	0.0018	0.103	0.103
Trypanosoma cruzi	p450 reductase, putative	0.0032	1	0.5
Schistosoma mansoni	hypothetical protein	0.0018	0.103	0.103
Schistosoma mansoni	amine GPCR	0.0018	0.103	0.103
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0018	0.103	0.103
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0018	0.103	0.5
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0018	0.103	0.103
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0018	0.103	0.103
Onchocerca volvulus		0.0018	0.103	0.5
Schistosoma mansoni	biogenic amine receptor	0.0018	0.103	0.103
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0032	1	0.5
Schistosoma mansoni	neuropeptide receptor	0.0018	0.103	0.103
Chlamydia trachomatis	sulfite reductase	0.002	0.2291	0.5
Onchocerca volvulus		0.0018	0.103	0.5
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0032	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0032	1	1
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.002	0.2291	0.2291
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0032	1	0.5
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0032	1	1
Schistosoma mansoni	hypothetical protein	0.0018	0.103	0.103
Onchocerca volvulus		0.0018	0.103	0.5
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0032	1	1
Brugia malayi	FAD binding domain containing protein	0.0032	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.103	0.103
Onchocerca volvulus		0.0018	0.103	0.5
Schistosoma mansoni	opsin-like receptor	0.0018	0.103	0.103
Schistosoma mansoni	amine GPCR	0.0018	0.103	0.103
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.103	0.103
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.103	0.103
Onchocerca volvulus		0.0018	0.103	0.5
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0032	1	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0018	0.103	0.103
Giardia lamblia	Nitric oxide synthase, inducible	0.0029	0.7709	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.103	0.103
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0018	0.103	0.103
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0018	0.103	0.103
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0032	1	1
Schistosoma mansoni	hypothetical protein	0.0018	0.103	0.103
Onchocerca volvulus		0.0018	0.103	0.5
Schistosoma mansoni	histamine h1 receptor	0.0018	0.103	0.103
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0018	0.103	0.103
Echinococcus multilocularis	methionine synthase reductase	0.002	0.2291	0.1406
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0032	1	1
Schistosoma mansoni	biogenic amine receptor	0.0018	0.103	0.103
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0032	1	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0018	0.103	0.103
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.103	0.103
Schistosoma mansoni	opsin-like receptor	0.0018	0.103	0.103
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0018	0.103	0.103
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0032	1	0.5
Onchocerca volvulus		0.0018	0.103	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0018	0.103	0.103
Onchocerca volvulus		0.0018	0.103	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.103	0.103
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.103	0.103
Onchocerca volvulus		0.0018	0.103	0.5
Onchocerca volvulus		0.0018	0.103	0.5
Loa Loa (eye worm)	FAD binding domain-containing protein	0.002	0.2291	0.1406
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0018	0.103	0.103
Schistosoma mansoni	cytochrome P450 reductase	0.0032	1	1
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0032	1	1
Onchocerca volvulus		0.0018	0.103	0.5
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0018	0.103	0.103
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0018	0.103	0.5
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0018	0.103	0.103

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 13 uM	In vitro inhibition of human Inducible nitric oxide synthase.	ChEMBL.	15163211
IC50 (binding)	= 13 uM	Inhibition of iNOS (unknown origin)	ChEMBL.	18357974
IC50 (binding)	= 13 uM	In vitro inhibition of human Inducible nitric oxide synthase.	ChEMBL.	15163211
IC50 (binding)	= 13 uM	Inhibition of iNOS (unknown origin)	ChEMBL.	18357974
IC50 (binding)	> 100 uM	In vitro inhibition of human endothelial nitric oxide synthase.	ChEMBL.	15163211
IC50 (binding)	> 100 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 neuronal 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 neuronal nitric oxide synthase (nNOS) at 100 microM	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 neuronal nitric oxide synthase (nNOS) 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: CHEMBL112247
PubChem: 11357119

Bibliographic References

2 literature references were 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 186413