TDR Targets

Basic information

Technical information

TDR Targets ID: 1895306
Name: 1-(tert-butylamino)-3-(5,8-dihydronaphthalen- 1-yloxy)propan-2-ol
MW: 275.386 | Formula: C17H25NO2
H donors: 2 H acceptors: 1 LogP: 2.91 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OC(COc1cccc2c1CC=CC2)CNC(C)(C)C
InChi: 1S/C17H25NO2/c1-17(2,3)18-11-14(19)12-20-16-10-6-8-13-7-4-5-9-15(13)16/h4-6,8,10,14,18-19H,7,9,11-12H2,1-3H3
InChiKey: JDOKKQREDFLVNP-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Adrenergic receptor beta	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
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Adrenergic receptor beta	400 aa	334 aa	24.6 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Adrenergic receptor beta	400 aa	385 aa	33.0 %
Echinococcus multilocularis	orexin receptor type 2	Adrenergic receptor beta	400 aa	321 aa	22.7 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Adrenergic receptor beta	400 aa	338 aa	24.6 %
Onchocerca volvulus		Adrenergic receptor beta	400 aa	336 aa	20.5 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Adrenergic receptor beta	400 aa	324 aa	22.2 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Adrenergic receptor beta	400 aa	328 aa	34.8 %
Echinococcus granulosus	orexin receptor type 2	Adrenergic receptor beta	400 aa	321 aa	22.7 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Adrenergic receptor beta	400 aa	343 aa	34.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	geminin	0.0193	0.5851	1
Echinococcus granulosus	dna polymerase eta	0.0022	0.0475	0.0795
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0102	0.0146
Echinococcus granulosus	Small ubiquitin modifier 2	0.0035	0.0883	0.1492
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0102	0.0156
Schistosoma mansoni	DNA polymerase eta	0.0022	0.0475	0.0812
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0883	1
Schistosoma mansoni	dishevelled	0.001	0.0102	0.0175
Brugia malayi	DIX domain containing protein	0.001	0.0102	0.0146
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.001	0.0102	0.0156
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0475	0.3449
Loa Loa (eye worm)	hypothetical protein	0.001	0.0102	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0475	0.0744
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0475	0.3449
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0475	0.3449
Loa Loa (eye worm)	hypothetical protein	0.001	0.0102	0.0146
Brugia malayi	N-terminal motif family protein	0.0206	0.6247	1
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0007	0.0011	0.0019
Leishmania major	small ubiquitin protein, putative	0.0035	0.0883	1
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0007	0.0011	0.0019
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0475	0.3449
Echinococcus multilocularis	Small ubiquitin modifier 2	0.0035	0.0883	0.1492
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0475	0.3449
Brugia malayi	regulator of G-protein signaling egl-10	0.001	0.0102	0.0146
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0007	0.0011	0.0019
Brugia malayi	Ubiquitin-like protein SMT3	0.0035	0.0883	0.1397
Schistosoma mansoni	hypothetical protein	0.0193	0.5851	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0022	0.0475	0.3449
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0475	0.0812
Entamoeba histolytica	ubiquitin like protein	0.0035	0.0883	1
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0326	1	1
Echinococcus multilocularis	ubiquitin	0.0012	0.0169	0.027
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0326	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0475	0.3449
Loa Loa (eye worm)	hypothetical protein	0.0206	0.6247	1
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.001	0.0102	0.0146
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0102	0.0156
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0475	0.0795
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0475	0.0812
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0102	0.0156
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0475	0.5326
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0102	0.0156
Schistosoma mansoni	ubiquitin-like protein sumo/smt3-related	0.0035	0.0883	0.1509
Trypanosoma brucei	unspecified product	0.0022	0.0475	0.3449
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0102	0.0156
Treponema pallidum	hypothetical protein	0.0326	1	0.5
Schistosoma mansoni	dishevelled	0.001	0.0102	0.0175
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0475	0.5326
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0102	0.0156
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0475	0.3449
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0326	1	1
Echinococcus granulosus	ubiquitin	0.0012	0.0169	0.027
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0475	0.3449
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0007	0.0011	0.0019
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0475	0.5326
Onchocerca volvulus		0.001	0.0102	0.0146
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0475	0.3449
Schistosoma mansoni	regulator of G protein signaling	0.001	0.0102	0.0175
Schistosoma mansoni	z-protein (S1r protein)	0.001	0.0102	0.0175
Loa Loa (eye worm)	hypothetical protein	0.001	0.0102	0.0146
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0022	0.0475	0.5326
Echinococcus multilocularis	geminin	0.0193	0.5851	1
Schistosoma mansoni	dep domain containing protein	0.001	0.0102	0.0175
Echinococcus granulosus	Pleckstrin G protein interacting region	0.001	0.0102	0.0156
Loa Loa (eye worm)	DIX domain-containing protein	0.001	0.0102	0.0146
Schistosoma mansoni	ras GTP exchange factor	0.0007	0.0011	0.0019
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0475	0.0744
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0475	0.0744
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0102	0.0156
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0475	0.0795
Onchocerca volvulus		0.0012	0.0169	0.0252
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0102	0.0146
Echinococcus multilocularis	dna polymerase eta	0.0022	0.0475	0.0795
Trypanosoma cruzi	small ubiquitin protein, putative	0.0035	0.0883	1
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.001	0.0102	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0169	0.0252
Giardia lamblia	Sentrin	0.0035	0.0883	1
Brugia malayi	hypothetical protein	0.001	0.0102	0.0146
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0475	0.3449
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0475	0.3449
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0169	0.1807
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0475	0.0795
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0102	0.0156
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0206	0.6247	1
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0326	1	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0022	0.0475	0.5326
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0475	0.0744
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0475	0.0795
Loa Loa (eye worm)	SMO-1 protein	0.0035	0.0883	0.1397
Trypanosoma brucei	small ubiquitin-related modifier	0.0035	0.0883	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0475	0.5326
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.001	0.0102	0.0175
Brugia malayi	hypothetical protein	0.0012	0.0169	0.0252
Brugia malayi	hypothetical protein	0.001	0.0102	0.0146
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0475	0.3449
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0022	0.0475	0.5326
Trichomonas vaginalis	ubiquitin, putative	0.0012	0.0169	0.1807
Trypanosoma cruzi	small ubiquitin protein, putative	0.0035	0.0883	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0022	0.0475	0.5326
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0475	0.3449
Schistosoma mansoni	hypothetical protein	0.0193	0.5851	1
Toxoplasma gondii	small ubiquitin family modifier, putative	0.0035	0.0883	1
Entamoeba histolytica	hypothetical protein	0.0012	0.0169	0.1807

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.0013 10'-3mg/ml	Inhibition of beta-adrenergic receptor in rat portal vein	ChEMBL.	31485

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: CHEMBL3246767

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 1895306