TDR Targets

Basic information

Technical information

TDR Targets ID: 1529156
Name: 2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)pipe razin-1-yl]methyl]phenol
MW: 354.486 | Formula: C22H30N2O2
H donors: 2 H acceptors: 2 LogP: 3.27 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OCCC1CN(CCN1CCCc1ccccc1)Cc1ccccc1O
InChi: 1S/C22H30N2O2/c25-16-12-21-18-23(17-20-10-4-5-11-22(20)26)14-15-24(21)13-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-11,21,25-26H,6,9,12-18H2
InChiKey: UPGXXSZWOSOXAO-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

2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)-1-piperazinyl]methyl]phenol
2-{[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl}phenol
MLS000971233
SMR000495206

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470

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	receptor protein tyrosine phosphatase	0.0111	0.334	1
Trichomonas vaginalis	set domain proteins, putative	0.0286	1	0.5
Onchocerca volvulus		0.0111	0.334	0.299
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Schistosoma mansoni	titin	0.0111	0.334	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0111	0.334	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0111	0.334	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0111	0.334	0.5
Brugia malayi	SPRY domain containing protein	0.0111	0.334	0.3848
Loa Loa (eye worm)	CAMK protein kinase	0.0111	0.334	0.3848
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Schistosoma mansoni	factor for adipocyte differentiation	0.0111	0.334	1
Echinococcus multilocularis	usherin	0.0111	0.334	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0111	0.334	1
Onchocerca volvulus		0.0111	0.334	0.299
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0111	0.334	0.3848
Schistosoma mansoni	hypothetical protein	0.0111	0.334	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0111	0.334	0.3848
Onchocerca volvulus		0.0111	0.334	0.299
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0111	0.334	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0111	0.334	0.3848
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0111	0.334	1
Schistosoma mansoni	serine/threonine protein kinase	0.0111	0.334	1
Echinococcus granulosus	usherin	0.0111	0.334	1
Echinococcus multilocularis	anosmin 1	0.0111	0.334	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0111	0.334	0.3848
Echinococcus granulosus	contactin	0.0111	0.334	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0111	0.334	0.3848
Brugia malayi	Fibronectin type III domain containing protein	0.0111	0.334	0.3848
Onchocerca volvulus		0.0111	0.334	0.299
Echinococcus granulosus	Fibronectin type III domain containing protein	0.0111	0.334	1
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0111	0.334	0.3848
Onchocerca volvulus		0.0111	0.334	0.299
Brugia malayi	Fibronectin type III domain containing protein	0.0111	0.334	0.3848
Loa Loa (eye worm)	lethal protein 805	0.0111	0.334	0.3848
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0111	0.334	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0111	0.334	1
Onchocerca volvulus		0.0111	0.334	0.299
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0111	0.334	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0111	0.334	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0111	0.334	0.3848
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Schistosoma mansoni	hemicentin	0.0111	0.334	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0111	0.334	1
Schistosoma mansoni	ephrin receptor	0.0111	0.334	1
Onchocerca volvulus		0.0111	0.334	0.299
Echinococcus granulosus	EG95	0.0111	0.334	1
Brugia malayi	myotactin form B	0.0111	0.334	0.3848
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Brugia malayi	Lethal protein 805	0.0111	0.334	0.3848
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0111	0.334	0.3848
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0111	0.334	0.5
Schistosoma mansoni	factor for adipocyte differentiation	0.0111	0.334	1
Onchocerca volvulus		0.0111	0.334	0.299
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.05	0.5
Schistosoma mansoni	protein tyrosine phosphatase	0.0111	0.334	1
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0111	0.334	0.3848
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Schistosoma mansoni	tripartite motif protein trim9	0.0111	0.334	1
Echinococcus multilocularis	transfer RNA-Phe	0.0111	0.334	1
Brugia malayi	Pre-SET motif family protein	0.0036	0.05	0.0575
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0111	0.334	0.3848
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Trypanosoma brucei	Fibronectin type III domain containing protein, putative	0.0111	0.334	0.5
Onchocerca volvulus		0.0111	0.334	0.299
Brugia malayi	Fibronectin type III domain containing protein	0.0111	0.334	0.3848
Brugia malayi	Lethal protein 805	0.0111	0.334	0.3848
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0111	0.334	0.3848
Echinococcus multilocularis	anosmin 1	0.0111	0.334	1
Schistosoma mansoni	cell adhesion molecule	0.0111	0.334	1
Brugia malayi	hypothetical protein	0.0111	0.334	0.3848
Brugia malayi	myotactin form A	0.0111	0.334	0.3848
Schistosoma mansoni	cell adhesion molecule	0.0111	0.334	1
Schistosoma mansoni	cell adhesion molecule	0.0111	0.334	1
Echinococcus multilocularis	cell adhesion molecule	0.0111	0.334	1
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.0111	0.334	1
Plasmodium vivax	SET domain protein, putative	0.0036	0.05	0.5
Schistosoma mansoni	nephrin	0.0111	0.334	1
Echinococcus granulosus	titin	0.0111	0.334	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0111	0.334	0.3848
Echinococcus multilocularis	Netrin receptor DCC	0.0111	0.334	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0111	0.334	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0111	0.334	0.3848
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0111	0.334	0.3848
Loa Loa (eye worm)	hypothetical protein	0.0036	0.05	0.0575
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0111	0.334	1
Brugia malayi	Fibronectin type III domain containing protein	0.0111	0.334	0.3848
Echinococcus multilocularis	Netrin receptor DCC	0.0111	0.334	1
Brugia malayi	Protein-tyrosine phosphatase	0.0111	0.334	0.3848
Schistosoma mansoni	hypothetical protein	0.0111	0.334	1
Echinococcus multilocularis	titin	0.0111	0.334	1
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.0111	0.334	1
Schistosoma mansoni	cell adhesion molecule	0.0111	0.334	1
Brugia malayi	Fibronectin type III domain containing protein	0.0111	0.334	0.3848
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0111	0.334	1
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0111	0.334	1
Schistosoma mansoni	cell adhesion molecule	0.0111	0.334	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0111	0.334	1
Schistosoma mansoni	factor for adipocyte differentiation	0.0111	0.334	1
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0111	0.334	0.3848
Echinococcus multilocularis	roundabout 2	0.0111	0.334	1
Brugia malayi	protein unc-22	0.0111	0.334	0.3848
Loa Loa (eye worm)	UNCoordinated family member	0.0111	0.334	0.3848
Onchocerca volvulus		0.0111	0.334	0.299
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Onchocerca volvulus		0.0111	0.334	0.299
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0111	0.334	0.3848
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0111	0.334	0.3848
Echinococcus multilocularis	titin	0.0111	0.334	1
Echinococcus multilocularis	anosmin 1	0.0111	0.334	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0111	0.334	0.3848
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0111	0.334	0.3848
Brugia malayi	hypothetical protein	0.0111	0.334	0.3848
Echinococcus multilocularis	roundabout 2	0.0111	0.334	1
Echinococcus granulosus	roundabout 2	0.0111	0.334	1
Echinococcus granulosus	Netrin receptor DCC	0.0111	0.334	1
Echinococcus multilocularis	fibronectin type III domain-containing protein	0.0111	0.334	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0111	0.334	0.3848
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Schistosoma mansoni	titin	0.0111	0.334	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0111	0.334	0.3848
Schistosoma mansoni	nephrin	0.0111	0.334	1
Echinococcus granulosus	anosmin 1	0.0111	0.334	1
Loa Loa (eye worm)	myotactin form A	0.0111	0.334	0.3848
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0111	0.334	0.3848
Echinococcus granulosus	anosmin 1	0.0111	0.334	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Echinococcus multilocularis	Fibronectin type III domain containing protein	0.0111	0.334	1
Echinococcus multilocularis	Fibronectin, type III	0.0111	0.334	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.05	0.0174
Brugia malayi	Pre-SET motif family protein	0.0251	0.868	1
Echinococcus granulosus	anosmin 1	0.0111	0.334	1
Brugia malayi	Fibronectin type III domain containing protein	0.0111	0.334	0.3848
Echinococcus granulosus	G1Y162 protein	0.0111	0.334	1
Echinococcus granulosus	roundabout 2	0.0111	0.334	1
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.0111	0.334	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0111	0.334	1
Echinococcus granulosus	Netrin receptor DCC	0.0111	0.334	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0111	0.334	0.3848
Schistosoma mansoni	myosin-binding protein-related	0.0111	0.334	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0111	0.334	0.3848
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0111	0.334	1
Onchocerca volvulus		0.0111	0.334	0.299
Echinococcus multilocularis	Phosphotidylinositol phosphatase PTPRQ	0.0111	0.334	1
Onchocerca volvulus		0.0111	0.334	0.299
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Echinococcus granulosus	neuroglian	0.0111	0.334	1
Echinococcus granulosus	fibronectin type III domain-containing protein	0.0111	0.334	1
Echinococcus granulosus	titin	0.0111	0.334	1
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0111	0.334	0.3848
Echinococcus multilocularis	neuroglian	0.0111	0.334	1
Echinococcus granulosus	Fibronectin type III	0.0111	0.334	1
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.0111	0.334	1
Echinococcus granulosus	nephrin	0.0111	0.334	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Loa Loa (eye worm)	hypothetical protein	0.0111	0.334	0.3848
Echinococcus granulosus	cell adhesion molecule	0.0111	0.334	1
Echinococcus multilocularis	roundabout 2	0.0111	0.334	1
Schistosoma mansoni	neuroglian	0.0111	0.334	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.868	1
Loa Loa (eye worm)	projectin	0.0111	0.334	0.3848
Leishmania major	hypothetical protein, conserved	0.0111	0.334	0.5
Echinococcus granulosus	roundabout 2	0.0111	0.334	1
Schistosoma mansoni	titin	0.0111	0.334	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0111	0.334	1
Onchocerca volvulus		0.0111	0.334	0.299
Schistosoma mansoni	hypothetical protein	0.0111	0.334	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0111	0.334	0.3848

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	6.5733 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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: CHEMBL1727123

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 1529156