TDR Targets

Basic information

Technical information

TDR Targets ID: 685907
Name: N-methyl-2-[4-oxo-6-[[4-(phenylmethyl)piperaz in-1-yl]methyl]pyran-3-yl]oxyacetamide
MW: 371.43 | Formula: C20H25N3O4
H donors: 1 H acceptors: 2 LogP: 0.8 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CNC(=O)COc1coc(cc1=O)CN1CCN(CC1)Cc1ccccc1
InChi: 1S/C20H25N3O4/c1-21-20(25)15-27-19-14-26-17(11-18(19)24)13-23-9-7-22(8-10-23)12-16-5-3-2-4-6-16/h2-6,11,14H,7-10,12-13,15H2,1H3,(H,21,25)
InChiKey: RZCRBAHAQJAXBF-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-methyl-2-[4-oxo-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]pyran-3-yl]oxy-acetamide
N-methyl-2-[[4-oxo-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-pyranyl]oxy]acetamide
2-[6-[[4-(benzyl)piperazin-1-yl]methyl]-4-keto-pyran-3-yl]oxy-N-methyl-acetamide
N-methyl-2-[4-oxo-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]pyran-3-yl]oxy-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
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0082	0.201	0.6881
Schistosoma mansoni	sex comb on midleg homolog	0.0051	0.0939	0.0739
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0107	0.2884	0.2727
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0082	0.201	0.5
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0082	0.201	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0082	0.201	0.2977
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0058	0.1183	0.1604
Brugia malayi	hypothetical protein	0.0026	0.0083	0.0322
Onchocerca volvulus		0.0051	0.0939	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.2527	0.3834
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0083	0.5
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0434	0.1716
Echinococcus granulosus	SAM and MBT domain containing protein	0.0051	0.0939	0.12
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0082	0.201	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1183	0.468
Schistosoma mansoni	hypothetical protein	0.018	0.5424	0.5323
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0058	0.1183	0.1604
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0083	0.5
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0053	0.1036	0.5
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0204	0.6243	1
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0058	0.1183	0.1604
Leishmania major	hypothetical protein, conserved	0.0026	0.0083	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0434	0.0222
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.0621	0.0672
Loa Loa (eye worm)	mbt repeat family protein	0.0051	0.0939	0.3717
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0107	0.2884	0.4427
Brugia malayi	mbt repeat family protein	0.0051	0.0939	0.3658
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0434	0.0361
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0058	0.1183	0.4605
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0082	0.201	0.5
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0434	0.0361
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.2527	0.2362
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0051	0.0939	0.0739
Plasmodium falciparum	phd finger protein, putative	0.003	0.0216	0.0693
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.2527	0.2362
Brugia malayi	PHD-finger family protein	0.003	0.0216	0.0842
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0053	0.1036	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0096	0.2527	0.9842
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0053	0.1036	0.4744
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0098	0.2568	0.3902
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0028	0.0157	0.0385
Giardia lamblia	PHD finger protein 15	0.003	0.0216	0.5
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0051	0.0939	0.12
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0082	0.201	1
Schistosoma mansoni	sex comb on midleg homolog	0.0051	0.0939	0.0739
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0107	0.2884	0.2727
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0955	0.3777
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.1317	0.521
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.2527	0.2362
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0107	0.2884	0.4427
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.2527	0.3834
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.2527	0.3834
Echinococcus granulosus	geminin	0.018	0.5424	0.864
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0083	0.0327
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0071	0.1651	0.1467
Brugia malayi	mbt repeat family protein	0.0051	0.0939	0.3658
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0107	0.2884	0.2727
Schistosoma mansoni	peptidase Clp (S14 family)	0.0082	0.201	0.1834
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0216	0.0477
Loa Loa (eye worm)	MBCTL1	0.0058	0.1183	0.468
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0098	0.2568	0.3902
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1651	0.6533
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0082	0.201	0.2977
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0107	0.2884	0.2727
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0216	0.0855
Echinococcus granulosus	peptidase Clp S14 family	0.0053	0.1036	0.1361
Schistosoma mansoni	jumonji domain containing protein	0.0078	0.1872	0.1692
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.0621	0.0672
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0939	0.3717
Toxoplasma gondii	hypothetical protein	0.0028	0.0157	0.0265
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0051	0.0939	1
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0082	0.201	1
Brugia malayi	jmjC domain containing protein	0.0036	0.0434	0.1689
Toxoplasma gondii	melibiase subfamily protein	0.0107	0.2884	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0058	0.1183	0.0988
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0082	0.201	0.5
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0216	0.0693
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.2527	0.3834
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0434	0.0222
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0083	0.5
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0071	0.1651	0.5
Echinococcus granulosus	histone acetyltransferase MYST2	0.0058	0.1183	0.1604
Brugia malayi	jmjC domain containing protein	0.0098	0.2568	1
Brugia malayi	Melibiase family protein	0.0071	0.1651	0.6429
Brugia malayi	Probable ClpP-like protease	0.0082	0.201	0.783
Schistosoma mansoni	hypothetical protein	0.018	0.5424	0.5323
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0096	0.2527	1
Echinococcus multilocularis	polycomb protein SCMH1	0.0051	0.0939	0.12
Loa Loa (eye worm)	hypothetical protein	0.0082	0.201	0.7956
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0082	0.201	0.5
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0053	0.1036	0.1361
Echinococcus multilocularis	geminin	0.018	0.5424	0.864
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0107	0.2884	0.4427
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0204	0.6243	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0082	0.201	0.5
Echinococcus granulosus	polycomb protein SCMH1	0.0051	0.0939	0.12
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0082	0.201	0.6881
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0071	0.1651	0.1467
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0216	0.0477
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0028	0.0157	0.0385
Loa Loa (eye worm)	hypothetical protein	0.003	0.0216	0.0855
Brugia malayi	Bromodomain containing protein	0.003	0.0216	0.0842

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 685907