TDR Targets

Basic information

Technical information

TDR Targets ID: 108055
Name: (1S)-2-naphthalen-1-yloxy-1-[(2S)-piperidin-2 -yl]ethanol
MW: 271.354 | Formula: C17H21NO2
H donors: 2 H acceptors: 1 LogP: 3.01 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H]([C@@H]1CCCCN1)COc1cccc2c1cccc2
InChi: 1S/C17H21NO2/c19-16(15-9-3-4-11-18-15)12-20-17-10-5-7-13-6-1-2-8-14(13)17/h1-2,5-8,10,15-16,18-19H,3-4,9,11-12H2/t15-,16+/m0/s1
InChiKey: HDRKGMUPXWTLAN-JKSUJKDBSA-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

(1S)-2-(1-naphthyloxy)-1-[(2S)-2-piperidyl]ethanol
(1S)-2-(1-naphthalenyloxy)-1-[(2S)-2-piperidinyl]ethanol
(1S)-2-(1-naphthoxy)-1-[(2S)-2-piperidyl]ethanol
(1S)-2-(1-naphthyloxy)-1-[(2S)-2-piperidinyl]ethanol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Cavia porcellus	Beta-2 adrenergic receptor	Starlite/ChEMBL	References
Cavia porcellus	Beta-1 adrenergic receptor	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	hypothetical protein	Beta-2 adrenergic receptor	418 aa	360 aa	23.3 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Beta-2 adrenergic receptor	418 aa	346 aa	33.5 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Beta-2 adrenergic receptor	418 aa	341 aa	25.2 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Beta-2 adrenergic receptor	418 aa	366 aa	33.1 %
Onchocerca volvulus		Beta-2 adrenergic receptor	418 aa	352 aa	28.1 %
Echinococcus multilocularis	orexin receptor type 2	Beta-2 adrenergic receptor	418 aa	370 aa	24.3 %
Onchocerca volvulus		Beta-2 adrenergic receptor	418 aa	338 aa	19.5 %
Onchocerca volvulus	Phospholipase d-related homolog	Beta-2 adrenergic receptor	418 aa	385 aa	22.9 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Beta-2 adrenergic receptor	418 aa	385 aa	33.5 %
Onchocerca volvulus		Beta-2 adrenergic receptor	418 aa	348 aa	19.8 %
Echinococcus granulosus	orexin receptor type 2	Beta-2 adrenergic receptor	418 aa	370 aa	24.1 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Beta-2 adrenergic receptor	418 aa	366 aa	31.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0117	0	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0117	0	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0117	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0117	0	0.5
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0749	1	1
Schistosoma mansoni	neuropeptide receptor	0.0117	0	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0117	0	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0117	0	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0117	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0117	0	0.5
Schistosoma mansoni	biogenic amine receptor	0.0117	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0383	0.4209	0.4209
Echinococcus multilocularis	g-protein coupled receptor	0.0117	0	0.5
Echinococcus granulosus	hypothetical protein	0.0117	0	0.5
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0117	0	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0117	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0117	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0117	0	0.5
Schistosoma mansoni	opsin-like receptor	0.0117	0	0.5
Echinococcus granulosus	7TM GPCR rhodopsin	0.0117	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0749	1	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0117	0	0.5
Leishmania major	C-8 sterol isomerase-like protein	0.0749	1	1
Echinococcus granulosus	G protein coupled receptor 139	0.0117	0	0.5
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0117	0	0.5
Echinococcus granulosus	neuropeptide receptor	0.0117	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0117	0	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0117	0	0.5
Echinococcus multilocularis	orexin receptor type 2	0.0117	0	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0117	0	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0117	0	0.5
Echinococcus granulosus	somatostatin receptor	0.0117	0	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0117	0	0.5
Schistosoma mansoni	neuropeptide receptor	0.0117	0	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0117	0	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0117	0	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0117	0	0.5
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0117	0	0.5
Schistosoma mansoni	amine GPCR	0.0117	0	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0117	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0117	0	0.5
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0117	0	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0117	0	0.5
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0117	0	0.5
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0749	1	1
Echinococcus multilocularis	g protein coupled receptor	0.0117	0	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0117	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0117	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0117	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0117	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0117	0	0.5
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0117	0	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0117	0	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0117	0	0.5
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0117	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0117	0	0.5
Echinococcus granulosus	fmrfamide receptor	0.0117	0	0.5
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0117	0	0.5
Onchocerca volvulus		0.028	0.258	1
Echinococcus granulosus	serotonin receptor	0.0117	0	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0117	0	0.5
Echinococcus granulosus	g protein coupled receptor	0.0117	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0117	0	0.5
Schistosoma mansoni	neuropeptide receptor	0.0117	0	0.5
Echinococcus granulosus	sex peptide receptor	0.0117	0	0.5
Echinococcus granulosus	g protein coupled receptor	0.0117	0	0.5
Echinococcus multilocularis	G protein coupled receptor 139	0.0117	0	0.5
Schistosoma mansoni	amine GPCR	0.0117	0	0.5
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0117	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0117	0	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0117	0	0.5
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0117	0	0.5
Echinococcus granulosus	g protein coupled receptor	0.0117	0	0.5
Echinococcus granulosus	neuropeptide receptor	0.0117	0	0.5
Echinococcus granulosus	neuropeptide s receptor	0.0117	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0117	0	0.5
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0117	0	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0117	0	0.5
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0117	0	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0117	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0117	0	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.0117	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0117	0	0.5
Echinococcus granulosus	neuropeptide FF receptor 2	0.0117	0	0.5
Schistosoma mansoni	amine GPCR	0.0117	0	0.5
Schistosoma mansoni	amine GPCR	0.0117	0	0.5
Echinococcus multilocularis	allatostatin A receptor	0.0117	0	0.5
Schistosoma mansoni	hypothetical protein	0.0117	0	0.5
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0117	0	0.5
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0117	0	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0117	0	0.5
Echinococcus multilocularis	neuropeptide receptor A26	0.0117	0	0.5
Echinococcus multilocularis	sex peptide receptor	0.0117	0	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0117	0	0.5
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0117	0	0.5
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0117	0	0.5
Schistosoma mansoni	adenoreceptor	0.0117	0	0.5
Schistosoma mansoni	hypothetical protein	0.0117	0	0.5
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0117	0	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0117	0	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0117	0	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0117	0	0.5
Schistosoma mansoni	growth hormone secretagogue receptor	0.0117	0	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0117	0	0.5
Echinococcus multilocularis	serotonin receptor	0.0117	0	0.5
Schistosoma mansoni	amine GPCR	0.0117	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0117	0	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0117	0	0.5
Schistosoma mansoni	opsin-like receptor	0.0117	0	0.5
Echinococcus multilocularis	somatostatin receptor	0.0117	0	0.5
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0117	0	0.5
Echinococcus granulosus	g-protein coupled receptor	0.0117	0	0.5
Schistosoma mansoni	biogenic amine receptor	0.0117	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0117	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0117	0	0.5
Schistosoma mansoni	neuropeptide receptor	0.0117	0	0.5
Schistosoma mansoni	hypothetical protein	0.0117	0	0.5
Schistosoma mansoni	histamine h1 receptor	0.0117	0	0.5
Echinococcus granulosus	neuropeptide receptor A26	0.0117	0	0.5
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0117	0	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0117	0	0.5
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0117	0	0.5
Echinococcus granulosus	orexin receptor type 2	0.0117	0	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0117	0	0.5
Echinococcus granulosus	7tm_1 domain containing protein	0.0117	0	0.5
Echinococcus multilocularis	serotonin receptor	0.0117	0	0.5
Schistosoma mansoni	myosin xvIII	0.0117	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0117	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0117	0	0.5
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0117	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0117	0	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.0117	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0117	0	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0117	0	0.5
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0117	0	0.5
Schistosoma mansoni	biogenic amine receptor	0.0117	0	0.5
Schistosoma mansoni	opsin-like receptor	0.0117	0	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0117	0	0.5
Echinococcus granulosus	allatostatin A receptor	0.0117	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0117	0	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0117	0	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0117	0	0.5
Schistosoma mansoni	neuropeptide f receptor 76f	0.0117	0	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0117	0	0.5
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0117	0	0.5
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0117	0	0.5
Schistosoma mansoni	hypothetical protein	0.0117	0	0.5
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0117	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Kd (binding)	= 9.82	Beta-1 adrenergic receptor activitation measured by isoprenaline-induced positive inotropic effect in guinea pig left atrium	ChEMBL.	2903245
Kd (functional)	= 10.2	Antagonism of isoprenaline-induced relaxation of guinea pig tracheal chains, contracted with carbachol	ChEMBL.	2903245
pA2 (binding)	= 9.82	Beta-1 adrenergic receptor activitation measured by isoprenaline-induced positive inotropic effect in guinea pig left atrium	ChEMBL.	2903245
pA2 (functional)	= 10.2	Antagonism of isoprenaline-induced relaxation of guinea pig tracheal chains, contracted with carbachol	ChEMBL.	2903245
Ratio (binding)	= 0.4	Selectivity of inhibition at beta1 versus beta2 adrenergic receptors, ratio of pA2 values	ChEMBL.	2903245

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: CHEMBL304344
PubChem: 21595418

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 108055