TDR Targets

Basic information

Technical information

TDR Targets ID: 739365
Name: N-(4-ethylphenyl)-4-phenylpiperazine-1-carbox amide
MW: 309.405 | Formula: C19H23N3O
H donors: 1 H acceptors: 1 LogP: 3.5 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc(cc1)NC(=O)N1CCN(CC1)c1ccccc1
InChi: 1S/C19H23N3O/c1-2-16-8-10-17(11-9-16)20-19(23)22-14-12-21(13-15-22)18-6-4-3-5-7-18/h3-11H,2,12-15H2,1H3,(H,20,23)
InChiKey: CWQSIIVKNQRNQA-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

N-(4-ethylphenyl)-4-phenyl-piperazine-1-carboxamide
N-(4-ethylphenyl)-4-phenyl-1-piperazinecarboxamide
ZINC06715794
IVK/0023985
MLS000679611
SMR000297858

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1186	0.1952
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.03	0.03
Echinococcus granulosus	Protein Wnt-111	0.0204	0.2272	0.2272
Loa Loa (eye worm)	sfrp2	0.0177	0.1942	0.3197
Echinococcus multilocularis	frizzled 10	0.0177	0.1942	0.1942
Brugia malayi	Receptor family ligand binding region containing protein	0.0024	0.0062	0.0102
Echinococcus granulosus	smoothened	0.0177	0.1942	0.1942
Echinococcus granulosus	frizzled 4	0.0177	0.1942	0.1942
Loa Loa (eye worm)	glutamate receptor	0.0094	0.0919	0.1513
Brugia malayi	Wnt-4 protein precursor	0.0204	0.2272	0.374
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0079	0.0732	0.0732
Schistosoma mansoni	wnt related	0.0204	0.2272	0.2272
Entamoeba histolytica	hypothetical protein	0.0043	0.03	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0271	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0177	0.1942	0.3197
Loa Loa (eye worm)	wnt-4 protein	0.0204	0.2272	0.374
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0107	0.1077	0.1077
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0444	0.0444
Echinococcus multilocularis	wnt family member wnt11 2	0.0204	0.2272	0.2272
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0505	0.0832
Echinococcus multilocularis	protein Wnt 1	0.0204	0.2272	0.2272
Brugia malayi	wnt family protein	0.0204	0.2272	0.374
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0444	0.0732
Echinococcus multilocularis	frizzled	0.0177	0.1942	0.1942
Echinococcus granulosus	frizzled 5	0.0177	0.1942	0.1942
Loa Loa (eye worm)	Wnt2 protein	0.0204	0.2272	0.374
Loa Loa (eye worm)	hypothetical protein	0.0204	0.2272	0.374
Schistosoma mansoni	secreted frizzled-related protein	0.0177	0.1942	0.1942
Loa Loa (eye worm)	hypothetical protein	0.0177	0.1942	0.3197
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0271	0.0447
Brugia malayi	Frizzled/Smoothened family membrane region containing protein	0.0177	0.1942	0.3197
Schistosoma mansoni	metabotropic glutamate receptor	0.0079	0.0732	0.0732
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0094	0.0919	0.1513
Echinococcus granulosus	netrin 1	0.0514	0.6074	0.6074
Echinococcus multilocularis	frizzled	0.0177	0.1942	0.1942
Echinococcus granulosus	Protein Wnt-04	0.0204	0.2272	0.2272
Loa Loa (eye worm)	glutamate receptor	0.0037	0.022	0.0362
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0444	0.0732
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0116	0.1186	0.1186
Echinococcus multilocularis	microtubule associated protein 2	0.0833	1	1
Echinococcus multilocularis	frizzled 5	0.0177	0.1942	0.1942
Brugia malayi	Fz domain containing protein	0.0177	0.1942	0.3197
Echinococcus multilocularis	netrin 1	0.0514	0.6074	0.6074
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0444	0.0444
Schistosoma mansoni	wnt-5	0.0204	0.2272	0.2272
Echinococcus multilocularis	wingless type MMTV integration site family	0.0204	0.2272	0.2272
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0085	0.0811	0.1335
Echinococcus multilocularis	WNT	0.0204	0.2272	0.2272
Loa Loa (eye worm)	hypothetical protein	0.006	0.0505	0.0832
Brugia malayi	hypothetical protein	0.0043	0.03	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0204	0.2272	0.374
Brugia malayi	Unc-6 protein precursor	0.0514	0.6074	1
Echinococcus multilocularis	secreted frizzled protein	0.0177	0.1942	0.1942
Loa Loa (eye worm)	frizzled/Smoothened family membrane region containing protein	0.0177	0.1942	0.3197
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.03	0.03
Echinococcus granulosus	secreted frizzled protein	0.0177	0.1942	0.1942
Entamoeba histolytica	hypothetical protein	0.0043	0.03	0.5
Schistosoma mansoni	netrin	0.0514	0.6074	0.6074
Schistosoma mansoni	frizzled-like receptor	0.0177	0.1942	0.1942
Echinococcus granulosus	frizzled	0.0177	0.1942	0.1942
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0444	0.0444
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0024	0.0062	0.0102
Echinococcus multilocularis	frizzled 4	0.0177	0.1942	0.1942
Echinococcus granulosus	frizzled	0.0177	0.1942	0.1942
Brugia malayi	Fz domain containing protein	0.0177	0.1942	0.3197
Schistosoma mansoni	wnt related	0.0204	0.2272	0.2272
Loa Loa (eye worm)	hypothetical protein	0.0204	0.2272	0.374
Echinococcus multilocularis	protein Wnt 2	0.0204	0.2272	0.2272
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0444	0.0444
Schistosoma mansoni	frizzled	0.0177	0.1942	0.1942
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0079	0.0732	0.0732
Echinococcus granulosus	frizzled	0.0177	0.1942	0.1942
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0505	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0204	0.2272	0.374
Loa Loa (eye worm)	hypothetical protein	0.0204	0.2272	0.374
Schistosoma mansoni	frizzled-like receptor	0.0177	0.1942	0.1942
Brugia malayi	Frizzled/Smoothened family membrane region containing protein	0.0177	0.1942	0.3197
Schistosoma mansoni	wnt related	0.0204	0.2272	0.2272
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0024	0.0062	0.0102
Loa Loa (eye worm)	frizzled/Smoothened family membrane region containing protein	0.0177	0.1942	0.3197
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0444	0.0444
Entamoeba histolytica	hypothetical protein	0.0043	0.03	0.5
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0116	0.1186	0.1186
Onchocerca volvulus		0.0691	0.825	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0444	0.0444
Echinococcus granulosus	Protein Wnt-5	0.0204	0.2272	0.2272
Loa Loa (eye worm)	hypothetical protein	0.0514	0.6074	1
Echinococcus granulosus	Protein Wnt-11b	0.0204	0.2272	0.2272
Echinococcus multilocularis	secreted frizzled protein 5	0.0177	0.1942	0.1942
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.03	0.03
Schistosoma mansoni	metabotropic glutamate receptor	0.0046	0.0328	0.0328
Brugia malayi	Wnt-2 protein precursor	0.0204	0.2272	0.374
Entamoeba histolytica	hypothetical protein	0.0043	0.03	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.0833	1	1
Echinococcus multilocularis	smoothened	0.0177	0.1942	0.1942
Brugia malayi	wnt family protein	0.0204	0.2272	0.374
Schistosoma mansoni	wnt inhibitor frzb2	0.0177	0.1942	0.1942
Echinococcus granulosus	secreted frizzled protein 5	0.0177	0.1942	0.1942
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0505	0.0832
Echinococcus granulosus	protein Wnt 1	0.0204	0.2272	0.2272
Schistosoma mansoni	wnt related	0.0204	0.2272	0.2272
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0444	0.0444
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0062	0.0102
Loa Loa (eye worm)	CWN-2 protein	0.0204	0.2272	0.374
Echinococcus multilocularis	secreted frizzled protein	0.0177	0.1942	0.1942
Schistosoma mansoni	netrin	0.0514	0.6074	0.6074
Echinococcus multilocularis	WNT	0.0204	0.2272	0.2272
Brugia malayi	metabotropic glutamate receptor type 2	0.0046	0.0328	0.054
Echinococcus granulosus	protein Wnt 2	0.0204	0.2272	0.2272
Schistosoma mansoni	hypothetical protein	0.0043	0.03	0.03
Schistosoma mansoni	hypothetical protein	0.0041	0.0271	0.0271
Brugia malayi	wnt family protein	0.0204	0.2272	0.374
Brugia malayi	wnt family protein	0.0204	0.2272	0.374

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.9953 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.9362 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)	5.0119 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.5131 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (binding)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 100 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	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: CHEMBL1546833
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 739365