TDR Targets

Basic information

Technical information

TDR Targets ID: 1409264
Name: ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1- carboxylate hydrochloride
MW: 353.887 | Formula: C18H28ClN3O2
H donors: 0 H acceptors: 1 LogP: 3.48 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1.Cl
InChi: 1S/C18H27N3O2.ClH/c1-2-23-18(22)21-10-8-17(9-11-21)20-14-12-19(13-15-20)16-6-4-3-5-7-16;/h3-7,17H,2,8-15H2,1H3;1H
InChiKey: XJPWJGYJWHXONM-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

4-(4-phenyl-1-piperazinyl)-1-piperidinecarboxylic acid ethyl ester hydrochloride
4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylic acid ethyl ester hydrochloride
MLS000974563
SMR000496416
ethyl 4-(4-phenyl-1-piperazinyl)-1-piperidinecarboxylate hydrochloride

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	dopamine receptor D3	Starlite/ChEMBL	No 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
Brugia malayi	hypothetical protein	dopamine receptor D3	400 aa	392 aa	19.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0009	1	1
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0009	1	1
Echinococcus multilocularis	tyrosine protein kinase shark	0.0005	0.2235	0.2235
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0009	1	1
Echinococcus granulosus	tyrosine protein kinase Blk	0.0005	0.2235	0.2235
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0009	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0009	1	1
Schistosoma mansoni	tyrosine kinase	0.0009	1	1
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0009	1	1
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0005	0.2235	0.2235
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0009	1	1
Onchocerca volvulus		0.0005	0.2235	1
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0005	0.2235	0.2235
Brugia malayi	hypothetical protein	0.0005	0.2235	0.2235
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0009	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0005	0.2235	0.2235
Onchocerca volvulus		0.0005	0.2235	1
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0005	0.2235	0.2235
Schistosoma mansoni	tyrosine kinase	0.0005	0.2235	0.2235
Onchocerca volvulus		0.0005	0.2235	1
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0009	1	1
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0009	1	1
Brugia malayi	Protein kinase domain containing protein	0.0005	0.2235	0.2235
Loa Loa (eye worm)	TK/FER protein kinase	0.0005	0.2235	0.2235
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0008	0.7765	0.7765
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0009	1	1
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0008	0.7765	0.7765
Schistosoma mansoni	adapter molecule crk	0.0008	0.7765	0.7765
Echinococcus granulosus	growth factor receptor bound protein 2	0.0008	0.7765	0.7765
Schistosoma mansoni	tyrosine kinase	0.0009	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0009	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0005	0.2235	0.2235
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0009	1	1
Brugia malayi	SRC-1	0.0009	1	1
Onchocerca volvulus		0.0005	0.2235	1
Brugia malayi	Protein kinase domain containing protein	0.0005	0.2235	0.2235
Loa Loa (eye worm)	hypothetical protein	0.0005	0.2235	0.2235
Echinococcus granulosus	tyrosine protein kinase shark	0.0005	0.2235	0.2235
Loa Loa (eye worm)	TK/FER protein kinase	0.0005	0.2235	0.2235
Loa Loa (eye worm)	TK/FER protein kinase	0.0005	0.2235	0.2235
Loa Loa (eye worm)	SRC-1	0.0009	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0005	0.2235	0.2235
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0009	1	1
Brugia malayi	Variant SH3 domain containing protein	0.0008	0.7765	0.7765
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0009	1	1
Schistosoma mansoni	tyrosine kinase	0.0009	1	1
Echinococcus multilocularis	tyrosine kinase	0.0005	0.2235	0.2235
Schistosoma mansoni	growth factor receptor-bound protein	0.0008	0.7765	0.7765
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0005	0.2235	0.2235
Brugia malayi	SH2 domain containing protein	0.0005	0.2235	0.2235
Schistosoma mansoni	serine/threonine protein kinase	0.0005	0.2038	0.2038
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0009	1	1
Echinococcus granulosus	c src tyrosine kinase	0.0009	1	1
Brugia malayi	protein-tyrosine kinase	0.0005	0.2235	0.2235
Brugia malayi	Protein kinase domain containing protein	0.0005	0.2235	0.2235
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0005	0.2235	0.2235
Loa Loa (eye worm)	TK protein kinase	0.0005	0.2235	0.2235
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0005	0.2235	1
Brugia malayi	Sex muscle abnormal protein 5	0.0008	0.7765	0.7765
Brugia malayi	SH2 domain containing protein	0.0005	0.2235	0.2235
Schistosoma mansoni	tyrosine kinase	0.0005	0.2235	0.2235
Brugia malayi	Protein kinase domain containing protein	0.0005	0.2235	0.2235
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0009	1	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0008	0.7765	0.7765
Schistosoma mansoni	tyrosine kinase	0.0009	1	1
Loa Loa (eye worm)	TK/ABL protein kinase	0.0005	0.2235	0.2235
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0009	1	1
Echinococcus granulosus	tyrosine kinase	0.0005	0.2235	0.2235
Echinococcus granulosus	NCK adaptor protein	0.0008	0.7765	0.7765
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0009	1	1
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0008	0.7765	0.7765
Onchocerca volvulus		0.0005	0.2235	1
Echinococcus granulosus	tyrosine protein kinase Srms	0.0005	0.2235	0.2235
Brugia malayi	Protein kinase domain containing protein	0.0005	0.2235	0.2235
Loa Loa (eye worm)	TK/FER protein kinase	0.0005	0.2235	0.2235
Schistosoma mansoni	growth factor receptor-bound protein	0.0008	0.7765	0.7765
Loa Loa (eye worm)	hypothetical protein	0.0008	0.7765	0.7765
Echinococcus multilocularis	c src tyrosine kinase	0.0009	1	1
Echinococcus granulosus	tyrosine kinase	0.0005	0.2235	0.2235
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0005	0.2235	0.2235
Loa Loa (eye worm)	TK/FER protein kinase	0.0005	0.2235	0.2235
Onchocerca volvulus		0.0005	0.2235	1
Schistosoma mansoni	nck2/grb4	0.0008	0.7765	0.7765
Loa Loa (eye worm)	TK/FER protein kinase	0.0005	0.2235	0.2235
Echinococcus multilocularis	NCK adaptor protein	0.0008	0.7765	0.7765
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0009	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0005	0.2235	0.2235
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0005	0.2235	0.2235
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0009	1	1
Brugia malayi	Variant SH3 domain containing protein	0.0008	0.7765	0.7765
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0005	0.2235	0.2235

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	14.7157 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS of D3 Dopamine Receptor Agonist: D3 Dopamine Receptor B-arrestin Agonist Confirmatory Assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 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)	20.5962 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1545913

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1409264