TDR Targets

Basic information

Technical information

TDR Targets ID: 217734
Name: 2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methox yphenyl)methyl]-4-methylpiperazine
MW: 288.388 | Formula: C16H24N4O
H donors: 1 H acceptors: 0 LogP: 0.6 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)CN1CCN(CC1C1=NCCN1)C
InChi: 1S/C16H24N4O/c1-19-8-9-20(15(12-19)16-17-6-7-18-16)11-13-4-3-5-14(10-13)21-2/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,17,18)
InChiKey: VLKJGNYKJJYTLQ-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-(4,5-dihydro-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]-4-methyl-piperazine
2-(2-imidazolin-2-yl)-1-m-anisyl-4-methyl-piperazine
2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxybenzyl)-4-methyl-piperazine

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	0.0012	0.034	0.034
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0022	0.3174	0.3174
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.3174	0.3174
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.1773	0.1773
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0022	0.3174	0.3174
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0022	0.3174	0.3174
Schistosoma mansoni	lamin	0.0032	0.5766	0.5766
Loa Loa (eye worm)	hypothetical protein	0.0048	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0022	0.3174	0.3174
Loa Loa (eye worm)	calcium channel	0.0048	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.034	0.034
Echinococcus granulosus	voltage dependent calcium channel	0.0048	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.3174	0.3174
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.3174	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0016	0.1317	0.1317
Schistosoma mansoni	nuclear hormone receptor	0.0022	0.3174	0.3174
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0022	0.3174	0.3174
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0022	0.3174	0.3174
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0022	0.3174	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0012	0.034	0.034
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0022	0.3174	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0032	0.5766	0.5766
Echinococcus multilocularis	lamin	0.0032	0.5766	0.5766
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.3174	0.3174
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0016	0.1317	0.1317
Schistosoma mansoni	high voltage-activated calcium channel Cav1	0.0048	1	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0016	0.1317	0.1317
Loa Loa (eye worm)	CYP4Cod1	0.0014	0.0822	0.0822
Onchocerca volvulus		0.0022	0.3174	0.5504
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0022	0.3174	0.3174
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0022	0.3174	0.3174
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel\|voltage dependent L type calcium channel subu	0.0048	1	1
Brugia malayi	nuclear receptor RXR	0.0012	0.034	0.034
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.3174	0.3174
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0022	0.3174	0.3174
Echinococcus granulosus	lamin	0.0032	0.5766	0.5766
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0022	0.3174	0.3174
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel alpha 1	0.0048	1	1
Echinococcus multilocularis	voltage dependent calcium channel	0.0048	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0022	0.3174	0.3174
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0048	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.034	0.034
Echinococcus multilocularis	ecdysone induced protein 78C	0.0022	0.3174	0.3174
Trypanosoma brucei	Voltage-dependent calcium channel subunit, putative	0.0048	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.3174	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0015	0.1159	0.1159
Loa Loa (eye worm)	hypothetical protein	0.0022	0.3174	0.3174
Schistosoma mansoni	high voltage-activated calcium channel Cav2A	0.0048	1	1
Leishmania major	cytochrome p450-like protein	0.0014	0.0822	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.3174	0.3174
Brugia malayi	hypothetical protein	0.0012	0.034	0.034
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.034	0.034
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0022	0.3174	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0042	0.8452	0.8452
Brugia malayi	nuclear receptor NHR-88	0.0022	0.3174	0.3174
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0022	0.3174	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0022	0.3174	0.3174
Loa Loa (eye worm)	voltage-dependent calcium channel	0.0048	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0022	0.3174	0.3174
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0048	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0012	0.034	0.034
Schistosoma mansoni	retinoic acid receptor RXR	0.0022	0.3174	0.3174
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0022	0.3174	0.3174
Echinococcus granulosus	intermediate filament protein	0.0032	0.5766	0.5766
Schistosoma mansoni	lamin	0.0032	0.5766	0.5766
Loa Loa (eye worm)	hypothetical protein	0.0022	0.3174	0.3174
Echinococcus granulosus	voltage dependent L type calcium channel subunit\|voltage dependent calcium channel	0.0048	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0022	0.3174	0.3174
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0022	0.3174	0.3174
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.3174	0.3174
Toxoplasma gondii	transporter, cation channel family protein	0.0048	1	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0032	0.5766	0.5766
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0012	0.034	0.034
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0022	0.3174	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0022	0.3174	0.3174
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0022	0.3174	0.3174
Onchocerca volvulus	Protein ultraspiracle homolog	0.0022	0.3174	0.5504
Loa Loa (eye worm)	hypothetical protein	0.0048	1	1
Brugia malayi	steroid hormone receptor	0.0022	0.3174	0.3174
Brugia malayi	Nuclear hormone receptor-like 1	0.0022	0.3174	0.3174
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0048	1	1
Brugia malayi	Cytochrome P450 family protein	0.0014	0.0822	0.0822
Loa Loa (eye worm)	hypothetical protein	0.0042	0.8452	0.8452
Echinococcus multilocularis	musashi	0.0032	0.5766	0.5766
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0022	0.3174	0.3174
Brugia malayi	ecdysteroid receptor	0.0022	0.3174	0.3174
Echinococcus multilocularis	lamin dm0	0.0032	0.5766	0.5766
Brugia malayi	hypothetical protein	0.0012	0.034	0.034
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.3174	0.3174
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.1773	0.1773
Trypanosoma cruzi	Voltage-dependent calcium channel subunit, putative	0.0048	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0022	0.3174	0.3174
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0022	0.3174	0.3174
Loa Loa (eye worm)	cytochrome P450 family protein	0.0014	0.0822	0.0822
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0022	0.3174	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0032	0.5609	0.5609
Brugia malayi	nuclear hormone receptor	0.0022	0.3174	0.3174
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.034	0.034
Echinococcus multilocularis	FTZ F1 alpha	0.0022	0.3174	0.3174
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.3174	0.3174
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0022	0.3174	0.5504
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0014	0.0822	0.5
Onchocerca volvulus	Bile acid receptor homolog	0.0022	0.3174	0.5504
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.3174	0.3174
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0022	0.3174	0.3174
Schistosoma mansoni	intermediate filament proteins	0.0032	0.5766	0.5766
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0022	0.3174	0.3174
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0022	0.3174	0.3174
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0012	0.034	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.3174	0.3174
Schistosoma mansoni	RAR-like nuclear receptor	0.0022	0.3174	0.3174
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0012	0.034	0.034
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0022	0.3174	0.3174
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.3174	0.3174
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0022	0.3174	0.3174
Loa Loa (eye worm)	cytochrome P450 family protein	0.0014	0.0822	0.0822
Brugia malayi	intermediate filament protein	0.0032	0.5766	0.5766
Schistosoma mansoni	voltage-gated cation channel	0.0048	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.3174	0.3174
Brugia malayi	photoreceptor-specific nuclear receptor	0.0022	0.3174	0.3174
Loa Loa (eye worm)	intermediate filament protein	0.0032	0.5766	0.5766
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0048	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.034	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.3174	0.3174
Echinococcus granulosus	lamin dm0	0.0032	0.5766	0.5766
Brugia malayi	Cytochrome P450 family protein	0.0014	0.0822	0.0822
Schistosoma mansoni	coup transcription factor	0.0022	0.3174	0.3174
Onchocerca volvulus		0.0032	0.5766	1
Echinococcus granulosus	FTZ F1 alpha	0.0022	0.3174	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0022	0.3174	0.3174
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0032	0.5766	0.5766
Brugia malayi	Steroid receptor seven-up type 2	0.0022	0.3174	0.3174
Loa Loa (eye worm)	steroid hormone receptor	0.0022	0.3174	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0012	0.034	0.034
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0022	0.3174	0.3174
Echinococcus multilocularis	voltage dependent calcium channel	0.0048	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0022	0.3174	0.3174
Onchocerca volvulus		0.0032	0.5766	1
Echinococcus granulosus	voltage dependent calcium channel	0.0048	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.1159	0.1159

Activities

Activity type	Activity value	Assay description	Source	Reference
Delta G (functional)	= 23 %	The incremental glycemia values after glucose administration (0.5 g/kg iv), to rats treated with streptozotocin (35 mg/kg iv)	ChEMBL.	9371245
Delta I (functional)	= 88 %	The incremental plasma insulin values over 30 minutes after glucose administration.	ChEMBL.	9371245
G30 (functional)	= 68 %	The glycemia values 30 minutes after glucose administration to streptozotocin rats	ChEMBL.	9371245
K (functional)	= 57 %	The rate of glucose disappearance between 5 and 30 minutes after glucose administration	ChEMBL.	9371245

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: CHEMBL124573
PubChem: 10565313

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 217734