TDR Targets

Basic information

Technical information

TDR Targets ID: 1844518
Name: 3-(2-dimethylaminoethoxy)phenol
MW: 181.232 | Formula: C10H15NO2
H donors: 1 H acceptors: 1 LogP: 1.58 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCOc1cccc(c1)O)C
InChi: 1S/C10H15NO2/c1-11(2)6-7-13-10-5-3-4-9(12)8-10/h3-5,8,12H,6-7H2,1-2H3
InChiKey: BPLAMHAAABHMPB-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cholinergic receptor, nicotinic, alpha 4 (neuronal)	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	Get druggable targets OG5_128160	All targets in OG5_128160
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	Get druggable targets OG5_128160	All targets in OG5_128160
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128160	All targets in OG5_128160
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	Get druggable targets OG5_128160	All targets in OG5_128160
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	Get druggable targets OG5_128160	All targets in OG5_128160
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	Get druggable targets OG5_128160	All targets in OG5_128160
Onchocerca volvulus	Putative nachr subunit	Get druggable targets OG5_128160	All targets in OG5_128160
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	Get druggable targets OG5_128160	All targets in OG5_128160
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	Get druggable targets OG5_128160	All targets in OG5_128160
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	Get druggable targets OG5_128160	All targets in OG5_128160

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
Loa Loa (eye worm)	hypothetical protein	0.1554	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.1554	1	1
Loa Loa (eye worm)	hypothetical protein	0.0733	0.4352	0.4352
Brugia malayi	hypothetical protein	0.0821	0.4957	0.4957
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.1554	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.1554	1	1
Schistosoma mansoni	thyroid hormone receptor	0.1554	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.1554	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0733	0.4352	0.4352
Loa Loa (eye worm)	hypothetical protein	0.0821	0.4957	0.4957
Brugia malayi	nuclear receptor NHR-88	0.1554	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.1554	1	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0733	0.4352	0.4352
Loa Loa (eye worm)	DR-78	0.0733	0.4352	0.4352
Brugia malayi	orphan nuclear receptor NR2E1	0.0733	0.4352	0.4352
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.1554	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.1554	1	1
Schistosoma mansoni	thyroid hormone receptor	0.1554	1	1
Loa Loa (eye worm)	hypothetical protein	0.1554	1	1
Echinococcus granulosus	FTZ F1 alpha	0.1554	1	1
Loa Loa (eye worm)	hypothetical protein	0.0733	0.4352	0.4352
Loa Loa (eye worm)	hypothetical protein	0.1554	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.1554	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0733	0.4352	0.4352
Brugia malayi	hypothetical protein	0.0821	0.4957	0.4957
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.1554	1	1
Brugia malayi	conserved hypotetical protein	0.0733	0.4352	0.4352
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.1554	1	1
Loa Loa (eye worm)	hypothetical protein	0.0821	0.4957	0.4957
Brugia malayi	Nuclear hormone receptor-like 1	0.0821	0.4957	0.4957
Echinococcus multilocularis	FTZ F1 alpha	0.1554	1	1
Loa Loa (eye worm)	hypothetical protein	0.0733	0.4352	0.4352
Loa Loa (eye worm)	hypothetical protein	0.0733	0.4352	0.4352
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0733	0.4352	0.4352
Loa Loa (eye worm)	hypothetical protein	0.1554	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.1554	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0733	0.4352	0.4352
Brugia malayi	nuclear receptor NHR-67	0.0733	0.4352	0.4352
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.1554	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.1554	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.1554	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.1554	1	1
Loa Loa (eye worm)	hypothetical protein	0.0733	0.4352	0.4352
Brugia malayi	nuclear receptor RXR	0.0821	0.4957	0.4957
Onchocerca volvulus		0.0733	0.4352	0.4352
Brugia malayi	nuclear receptor NHR-88	0.0733	0.4352	0.4352
Echinococcus multilocularis	thyroid hormone receptor alpha	0.1554	1	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0733	0.4352	0.4352
Echinococcus multilocularis	ecdysone induced protein 78C	0.1554	1	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0733	0.4352	0.4352
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0733	0.4352	0.4352
Brugia malayi	hypothetical protein	0.0733	0.4352	0.4352
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.1554	1	1
Schistosoma mansoni	nuclear hormone receptor	0.1554	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0821	0.4957	0.4957
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0733	0.4352	0.4352
Loa Loa (eye worm)	hypothetical protein	0.0733	0.4352	0.4352
Onchocerca volvulus		0.1554	1	1
Brugia malayi	nuclear receptor RXR	0.0733	0.4352	0.4352
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.1554	1	1
Schistosoma mansoni	coup transcription factor	0.1554	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.1554	1	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0733	0.4352	0.4352
Brugia malayi	nuclear hormone receptor	0.0733	0.4352	0.4352
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0733	0.4352	0.4352
Brugia malayi	hypothetical protein	0.0733	0.4352	0.4352
Brugia malayi	ecdysone receptor	0.0733	0.4352	0.4352
Loa Loa (eye worm)	hypothetical protein	0.0733	0.4352	0.4352
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.1554	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.1554	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.1554	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.1554	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.1554	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.1554	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.1554	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.1554	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.1554	1	1
Onchocerca volvulus		0.0733	0.4352	0.4352
Schistosoma mansoni	RAR-like nuclear receptor	0.1554	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.1554	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.1554	1	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0733	0.4352	0.4352
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.1554	1	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0733	0.4352	0.4352
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0821	0.4957	0.4957
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.1554	1	1
Loa Loa (eye worm)	hypothetical protein	0.1554	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.1554	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.1554	1	1
Brugia malayi	tailless protein	0.0733	0.4352	0.4352
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.1554	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0821	0.4957	0.1071
Loa Loa (eye worm)	hypothetical protein	0.0733	0.4352	0.4352
Brugia malayi	Nuclear hormone receptor E75	0.0733	0.4352	0.4352
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.1554	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.1554	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.1554	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.1554	1	1
Loa Loa (eye worm)	hypothetical protein	0.0821	0.4957	0.4957
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.1554	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0733	0.4352	0.4352
Loa Loa (eye worm)	hypothetical protein	0.0821	0.4957	0.4957
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0821	0.4957	0.4957
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.1554	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.1554	1	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0733	0.4352	0.4352
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.1554	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.1554	1	1
Loa Loa (eye worm)	hypothetical protein	0.1554	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.1554	1	1
Loa Loa (eye worm)	hypothetical protein	0.1554	1	1
Loa Loa (eye worm)	hypothetical protein	0.0733	0.4352	0.4352
Brugia malayi	nuclear hormone receptor family member odr-7	0.0733	0.4352	0.4352
Loa Loa (eye worm)	hypothetical protein	0.1554	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0733	0.4352	0.4352
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.1554	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.1554	1	1
Loa Loa (eye worm)	hypothetical protein	0.0733	0.4352	0.4352
Loa Loa (eye worm)	hypothetical protein	0.0733	0.4352	0.4352
Loa Loa (eye worm)	hypothetical protein	0.0821	0.4957	0.4957
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0733	0.4352	0.4352
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0733	0.4352	0.4352
Brugia malayi	Steroid receptor seven-up type 2	0.1554	1	1
Loa Loa (eye worm)	hypothetical protein	0.0733	0.4352	0.4352
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.1554	1	1
Loa Loa (eye worm)	hypothetical protein	0.0733	0.4352	0.4352
Brugia malayi	Nuclear hormone receptor-like 1	0.0821	0.4957	0.4957
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0733	0.4352	0.4352
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.1554	1	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0733	0.4352	0.4352
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0821	0.4957	0.1071
Brugia malayi	steroid hormone receptor	0.1554	1	1
Brugia malayi	nuclear hormone receptor	0.1554	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 360 nM	Displacement of [3H]nicotine from Homo sapiens (human) alpha4beta2 nicotinic acetylcholine receptor expressed in Homo sapiens (human) SH-EP1 cells after 2.5 min by scintillation counting	ChEMBL.	No reference

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: CHEMBL2261108

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 1844518