TDR Targets

Basic information

Technical information

TDR Targets ID: 685956
Name: 2-[6-[[4-(3-chlorophenyl)piperazin-1-yl]methy l]-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acet amide
MW: 435.901 | Formula: C21H26ClN3O5
H donors: 1 H acceptors: 2 LogP: 1.57 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COCCNC(=O)COc1coc(cc1=O)CN1CCN(CC1)c1cccc(c1)Cl
InChi: 1S/C21H26ClN3O5/c1-28-10-5-23-21(27)15-30-20-14-29-18(12-19(20)26)13-24-6-8-25(9-7-24)17-4-2-3-16(22)11-17/h2-4,11-12,14H,5-10,13,15H2,1H3,(H,23,27)
InChiKey: RPLLSOZSHWECCT-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-[6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-oxo-pyran-3-yl]oxy-N-(2-methoxyethyl)acetamide
2-[[6-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-4-oxo-3-pyranyl]oxy]-N-(2-methoxyethyl)acetamide
2-[6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-keto-pyran-3-yl]oxy-N-(2-methoxyethyl)acetamide
2-[6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-oxo-pyran-3-yl]oxy-N-(2-methoxyethyl)ethanamide

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
Echinococcus granulosus	lamin	0.0054	0.4354	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0562	0.0485
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0562	0.0485
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.3535	0.8083
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.0132	0.0052
Onchocerca volvulus		0.001	0.0562	0.0485
Schistosoma mansoni	nuclear hormone receptor	0.0005	0.008	0.0138
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.3535	0.609
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0203	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0203	0.5
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0005	0.008	0.0138
Schistosoma mansoni	nuclear receptor	0.0005	0.008	0.0138
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0103	0.8652	0.8642
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0562	0.0485
Loa Loa (eye worm)	hypothetical protein	0.001	0.0562	0.0485
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0203	0.5
Onchocerca volvulus	Huntingtin homolog	0.0118	1	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.2499	0.5658
Loa Loa (eye worm)	hypothetical protein	0.0025	0.1834	0.1768
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0203	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.2499	0.5658
Schistosoma mansoni	cpg binding protein	0.0029	0.2228	0.3839
Loa Loa (eye worm)	hypothetical protein	0.0026	0.192	0.1855
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0256	0.0412
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.3535	0.609
Loa Loa (eye worm)	hypothetical protein	0.007	0.5804	0.577
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0203	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0562	0.0485
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0562	0.0968
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0203	0.5
Onchocerca volvulus		0.0028	0.2089	0.2025
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.2499	0.2438
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0132	0.0052
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0562	0.0968
Schistosoma mansoni	zinc finger protein	0.0005	0.008	0.0138
Echinococcus granulosus	intermediate filament protein	0.0054	0.4354	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0562	0.1127
Brugia malayi	intermediate filament protein	0.0054	0.4354	0.4309
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0562	0.0485
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0562	0.1127
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0562	0.0485
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0203	0.5
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0026	0.192	0.4306
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0562	0.1127
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0562	0.0485
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.2499	0.2438
Loa Loa (eye worm)	hypothetical protein	0.0033	0.2499	0.2438
Loa Loa (eye worm)	hypothetical protein	0.001	0.0562	0.0485
Brugia malayi	nuclear hormone receptor	0.001	0.0562	0.0485
Schistosoma mansoni	lamin	0.0054	0.4354	0.7502
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0395	0.0318
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0256	0.0412
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0562	0.0968
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.2499	0.5658
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0562	0.1127
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0132	0.0052
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0405	0.076
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0103	0.8652	0.8642
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0562	0.0485
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.3535	0.3483
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0562	0.0485
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0203	0.5
Echinococcus granulosus	GPCR family 2	0.0033	0.2499	0.5658
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0005	0.008	0.0138
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0562	0.0968
Brugia malayi	nuclear receptor NHR-88	0.001	0.0562	0.0485
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0562	0.0968
Schistosoma mansoni	hypothetical protein	0.0033	0.2499	0.4305
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0562	0.1127
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0562	0.0485
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0132	0.0052
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.3535	0.609
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0256	0.0412
Loa Loa (eye worm)	intermediate filament protein	0.0054	0.4354	0.4309
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0562	0.0968
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.0132	0.0121
Schistosoma mansoni	cpg binding protein	0.0029	0.2228	0.3839
Loa Loa (eye worm)	hypothetical protein	0.001	0.0562	0.0485
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0562	0.1127
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0562	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0132	0.0052
Echinococcus multilocularis	lamin dm0	0.0054	0.4354	1
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0562	0.1127
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0026	0.192	0.4306
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0562	0.0968
Echinococcus multilocularis	musashi	0.0054	0.4354	1
Schistosoma mansoni	hypothetical protein	0.0033	0.2499	0.4305
Loa Loa (eye worm)	hypothetical protein	0.001	0.0562	0.0485
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.2499	0.2438
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0103	0.8652	0.8642
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0562	0.0485
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0562	0.1127
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0562	0.0485
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0203	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0054	0.4354	0.4309
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.4271	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0562	0.1127
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0562	0.0968
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0562	0.1127
Loa Loa (eye worm)	hypothetical protein	0.001	0.0562	0.0485
Brugia malayi	hypothetical protein	0.0006	0.0132	0.0052
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0562	0.0485
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0562	0.0485
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0029	0.217	0.2107
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0203	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0203	0.5
Echinococcus multilocularis	lamin	0.0054	0.4354	1
Schistosoma mansoni	lamin	0.0054	0.4354	0.7502
Schistosoma mansoni	nuclear hormone receptor	0.0005	0.008	0.0138
Loa Loa (eye worm)	hypothetical protein	0.001	0.0562	0.0485
Schistosoma mansoni	hypothetical protein	0.007	0.5804	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0005	0.008	0.0138
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0562	0.0485
Trichomonas vaginalis	helicase, putative	0.0006	0.0203	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.1834	0.1768
Schistosoma mansoni	hypothetical protein	0.0033	0.2499	0.4305
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0562	0.0485
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0562	0.1127
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0562	0.0968
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.3535	0.3483
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0562	0.1127
Schistosoma mansoni	hypothetical protein	0.0033	0.2499	0.4305
Schistosoma mansoni	coup transcription factor	0.001	0.0562	0.0968
Echinococcus granulosus	lamin dm0	0.0054	0.4354	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0562	0.1127
Echinococcus multilocularis	GPCR, family 2	0.0033	0.2499	0.5658
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0562	0.0968
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0132	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0103	0.8652	0.8642
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0132	0.0052
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.0132	0.0227
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0203	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0562	0.0485
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.3535	0.8083
Brugia malayi	steroid hormone receptor	0.001	0.0562	0.0485
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0562	0.0485
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0006	0.0132	0.0121
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.3535	0.8083
Schistosoma mansoni	cpg binding protein	0.0028	0.2089	0.3599
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0203	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0203	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0562	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0118	1	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0029	0.217	0.2107
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0562	0.0485
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0562	0.0485
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0562	0.0485
Onchocerca volvulus	Huntingtin homolog	0.0118	1	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0132	0.0052
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0562	0.0485
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0562	0.0968
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0562	0.1127
Schistosoma mansoni	intermediate filament proteins	0.0054	0.4354	0.7502
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0562	0.0485
Echinococcus multilocularis	cpg binding protein	0.0029	0.2228	0.5026
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0405	0.076
Brugia malayi	ecdysteroid receptor	0.001	0.0562	0.0485
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.2089	0.2025
Brugia malayi	hypothetical protein	0.0006	0.0132	0.0052
Loa Loa (eye worm)	hypothetical protein	0.001	0.0562	0.0485
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0562	0.1127
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.3535	0.8083
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.5804	0.577
Loa Loa (eye worm)	hypothetical protein	0.0054	0.4354	0.4309
Loa Loa (eye worm)	hypothetical protein	0.0053	0.4268	0.4222
Onchocerca volvulus		0.0054	0.4354	0.4309
Brugia malayi	nuclear receptor RXR	0.0006	0.0132	0.0052
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.2499	0.5658
Schistosoma mansoni	nuclear receptor	0.0005	0.008	0.0138
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.4823	0.831
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0562	0.1127
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0256	0.0441
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0203	0.5
Echinococcus granulosus	cpg binding protein	0.0029	0.2228	0.5026
Loa Loa (eye worm)	hypothetical protein	0.001	0.0562	0.0485
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0203	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0203	0.5
Brugia malayi	Intermediate filament tail domain containing protein	0.0054	0.4354	0.4309
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0562	0.0485
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0405	0.0327
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0562	0.0968
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0256	0.0412
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0562	0.1127
Onchocerca volvulus		0.0054	0.4354	0.4309
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.0132	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0118	1	1
Brugia malayi	CXXC zinc finger family protein	0.0028	0.2089	0.2025
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0562	0.1127
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0562	0.0485

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 685956