TDR Targets

Basic information

Technical information

TDR Targets ID: 1213679
Name: 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino ]ethanol
MW: 243.73 | Formula: C12H18ClNO2
H donors: 2 H acceptors: 1 LogP: 2.14 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OCCNCCOc1cc(C)c(c(c1)C)Cl
InChi: 1S/C12H18ClNO2/c1-9-7-11(8-10(2)12(9)13)16-6-4-14-3-5-15/h7-8,14-15H,3-6H2,1-2H3
InChiKey: IZQWEMQVQGNPDR-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

2-[2-(4-chloro-3,5-dimethyl-phenoxy)ethylamino]ethanol
MLS000108200
SMR000104161

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Mus musculus	transient receptor potential cation channel, subfamily C, member 4	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 1, subfamily A, polypeptide 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	transient receptor potential ion channel A	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma mansoni	transient receptor potential channel 4	Get druggable targets OG5_128782	All targets in OG5_128782
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Schistosoma japonicum	ko:K05328 transient receptor potential cation channel, subfamily C,, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Brugia malayi	Transient-receptor-potential like protein	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	ko:K05328 transient receptor potential cation channel, subfamily C,, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus granulosus	TRP transient receptor potential channel	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus multilocularis	TRP (transient receptor potential) channel	Get druggable targets OG5_128782	All targets in OG5_128782
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma mansoni	transient receptor potential channel	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus multilocularis	transient receptor potential gamma protein	Get druggable targets OG5_128782	All targets in OG5_128782
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus granulosus	transient receptor potential gamma protein	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	Short transient receptor potential channel 5, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus granulosus	transient receptor potential ion channel A	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	Transient receptor potential-gamma protein, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	Short transient receptor potential channel 5, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128782	All targets in OG5_128782

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %
Echinococcus multilocularis	short transient receptor potential channel 6	transient receptor potential cation channel, subfamily C, member 4	890 aa	799 aa	31.2 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Brugia malayi	Cytochrome P450 family protein	cytochrome P450, family 1, subfamily A, polypeptide 2	516 aa	470 aa	26.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0054	0.0585	0.0585
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0137	0.0541
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.1712	0.1712
Echinococcus granulosus	transient receptor potential ion channel A	0.0113	0.1346	0.5323
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0133	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0236	0.0934
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0137	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0049	0.0196
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0152	0.5
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0152	1
Brugia malayi	hypothetical protein	0.0019	0.0137	0.063
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0236	0.0934
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0133	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0177	0.217	0.858
Schistosoma mansoni	polycystin 1-related	0.0019	0.0137	0.0541
Schistosoma mansoni	hypothetical protein	0.0019	0.0133	0.0525
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0142	0.1712	0.7891
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0137	0.0541
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0663	0.262
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0294	0.1356
Schistosoma mansoni	lamin	0.0027	0.0236	0.0934
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.1712	0.1712
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0106	0.1247	0.493
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0133	0.0612
Onchocerca volvulus		0.0027	0.0236	0.1089
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0137	0.0541
Loa Loa (eye worm)	hypothetical protein	0.0117	0.1397	0.5522
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0177	0.217	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0152	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0399	0.1576
Schistosoma mansoni	loxhd1	0.0019	0.0137	0.0541
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0133	0.0525
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0074	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0417	0.1651
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0137	0.0137
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0133	0.0612
Echinococcus multilocularis	transient receptor potential ion channel A	0.0113	0.1346	0.1346
Entamoeba histolytica	hypothetical protein	0.0106	0.1247	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0137	0.0541
Loa Loa (eye worm)	hypothetical protein	0.006	0.0663	0.262
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.1712	0.6771
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0054	0.0585	0.2313
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0152	0.0152
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0152	0.5
Schistosoma mansoni	transient receptor potential channel	0.0117	0.1397	0.5522
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0152	0.5
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0152	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0417	0.1924
Echinococcus granulosus	short transient receptor potential channel 6	0.0078	0.0886	0.3502
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0152	1
Brugia malayi	hypothetical protein	0.0019	0.0137	0.063
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0663	0.3054
Echinococcus multilocularis	hormone sensitive lipase	0.0205	0.2529	0.2529
Onchocerca volvulus		0.0019	0.0137	0.063
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0133	0.0525
Brugia malayi	Transient-receptor-potential like protein	0.0044	0.0449	0.2069
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0205	0.2529	1
Schistosoma mansoni	ap endonuclease	0.002	0.0152	0.0599
Echinococcus multilocularis	transient receptor potential gamma protein	0.0117	0.1397	0.1397
Loa Loa (eye worm)	hypothetical protein	0.0205	0.2529	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0294	0.1164
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0049	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0137	0.0541
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0137	0.0541
Echinococcus granulosus	intermediate filament protein	0.0027	0.0236	0.0934
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0133	0.0525
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0133	0.0133
Echinococcus granulosus	lamin	0.0027	0.0236	0.0934
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0074	0.0294
Entamoeba histolytica	hypothetical protein	0.0106	0.1247	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0133	0.0525
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0152	0.0698
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0056	0.0221
Schistosoma mansoni	transient receptor potential channel 4	0.0117	0.1397	0.5522
Schistosoma mansoni	hypothetical protein	0.0106	0.1247	0.493
Brugia malayi	intermediate filament protein	0.0027	0.0236	0.1089
Echinococcus granulosus	lamin dm0	0.0027	0.0236	0.0934
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0152	0.5
Toxoplasma gondii	exonuclease III APE	0.002	0.0152	1
Schistosoma mansoni	rab6-interacting	0.0019	0.0137	0.0541
Schistosoma mansoni	lipoxygenase	0.0054	0.0585	0.2313
Onchocerca volvulus		0.0019	0.0137	0.063
Schistosoma mansoni	hypothetical protein	0.0019	0.0137	0.0541
Echinococcus multilocularis	short transient receptor potential channel 6	0.0078	0.0886	0.0886
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0205	0.2529	1
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0044	0.0449	0.0449
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.1712	0.6771
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0142	0.1712	0.6771
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0056	0.0221
Schistosoma mansoni	ap endonuclease	0.002	0.0152	0.0599
Schistosoma mansoni	transcription factor LCR-F1	0.0106	0.1247	0.493
Brugia malayi	hypothetical protein	0.0106	0.1247	0.5746
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0152	0.5
Echinococcus granulosus	hormone sensitive lipase	0.0205	0.2529	1
Schistosoma mansoni	transient receptor potential channel	0.0078	0.0886	0.3502
Schistosoma mansoni	rab6-interacting	0.0019	0.0137	0.0541
Echinococcus multilocularis	short transient receptor potential channel 6	0.0078	0.0886	0.0886
Echinococcus granulosus	short transient receptor potential channel 6	0.0078	0.0886	0.3502
Schistosoma mansoni	transient receptor potential channel	0.0078	0.0886	0.3502
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0152	0.0599
Entamoeba histolytica	hypothetical protein	0.0106	0.1247	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0152	0.0599
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0236	0.0934
Schistosoma mansoni	hypothetical protein	0.0019	0.0133	0.0525
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0137	0.0137
Echinococcus multilocularis	RUN	0.0019	0.0137	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0449	0.1775
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0236	0.0934
Schistosoma mansoni	hypothetical protein	0.0019	0.0133	0.0525
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.1712	0.6771
Loa Loa (eye worm)	hypothetical protein	0.0027	0.023	0.0909
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0152	0.5
Onchocerca volvulus		0.0027	0.0236	0.1089
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0236	0.1089
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0205	0.2529	1
Schistosoma mansoni	lamin	0.0027	0.0236	0.0934
Echinococcus granulosus	GPCR family 2	0.0019	0.0133	0.0525
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.1712	0.6771
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0663	0.3054
Echinococcus granulosus	transient receptor potential gamma protein	0.0117	0.1397	0.5522
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0152	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0133	0.0133
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0106	0.1247	0.1247
Echinococcus multilocularis	lamin	0.0027	0.0236	0.0236
Echinococcus multilocularis	musashi	0.0027	0.0236	0.0236
Brugia malayi	Doublecortin family protein	0.0019	0.0137	0.063
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0152	0.5
Schistosoma mansoni	hypothetical protein	0.0041	0.0417	0.1651
Entamoeba histolytica	hypothetical protein	0.0106	0.1247	1
Brugia malayi	N-terminal motif family protein	0.0177	0.217	1
Echinococcus granulosus	RUN	0.0019	0.0137	0.0541
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0835	0.3303
Echinococcus granulosus	TRP transient receptor potential channel	0.0044	0.0449	0.1775
Schistosoma mansoni	lipoxygenase	0.0019	0.0137	0.0541
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.1712	0.6771
Echinococcus multilocularis	lamin dm0	0.0027	0.0236	0.0236
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0152	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 1.995262315 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 7.079457844 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 25.11886432 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
EC50 (functional)	0.09 uM	PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that allosterically potentiate transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2227, AID2246]	ChEMBL.	No reference
EC50 (functional)	0.8413 uM	PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that activate transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2237, AID2259]	ChEMBL.	No reference
Potency (functional)	5.6234 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 100 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1305846

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 1213679