TDR Targets

Basic information

Technical information

TDR Targets ID: 721384
Name: 1-methyl-4-[2-(3-nitrophenoxy)ethyl]piperazin e
MW: 265.308 | Formula: C13H19N3O3
H donors: 0 H acceptors: 2 LogP: 1.57 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)CCOc1cccc(c1)[N+](=O)[O-]
InChi: 1S/C13H19N3O3/c1-14-5-7-15(8-6-14)9-10-19-13-4-2-3-12(11-13)16(17)18/h2-4,11H,5-10H2,1H3
InChiKey: MZWDLVGMOCMFGR-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

No synonyms found for this compound

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	Peptidase C54	0.0064	0.0543	0.0967
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0027	0.0114	0.1189
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0318	0.3477	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0029	0.014	0.0714
Toxoplasma gondii	autophagy-related cysteine peptidase atg4, putative	0.0025	0.0091	0.0817
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0429	0.447
Toxoplasma gondii	FATC domain-containing protein	0.0027	0.0114	0.1124
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0543	0.1025
Loa Loa (eye worm)	phosphatidylinositol 3	0.002	0.0029	0.0055
Echinococcus multilocularis	neuropeptide receptor A26	0.0503	0.5617	0.5617
Echinococcus multilocularis	Peptidase C54	0.0064	0.0543	0.0543
Onchocerca volvulus	Phospholipase A2 homolog	0.0475	0.5298	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.002	0.0029	0.0029
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0056	0.0446	0.2099
Echinococcus multilocularis	serine protein kinase ATM	0.0027	0.0114	0.0114
Entamoeba histolytica	peptidase, C54 family	0.0025	0.0091	0.0179
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0085	0.0785	1
Leishmania major	phosphatidylinositol kinase related protein, putative	0.002	0.003	0.0009
Echinococcus multilocularis	cysteine protease atg4b	0.0064	0.0543	0.0543
Echinococcus granulosus	geminin	0.0184	0.1933	0.3441
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.002	0.0029	0.0052
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0429	0.447
Schistosoma mansoni	autophagin-1 (C54 family)	0.0064	0.0543	0.2811
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0085	0.0785	0.0785
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0085	0.0785	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0318	0.3477	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0785	0.1482
Toxoplasma gondii	hypothetical protein	0.0029	0.014	0.1473
Trypanosoma brucei	AUT2/APG4/ATG4 cysteine peptidase, putative	0.0064	0.0543	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0318	0.3477	1
Trichomonas vaginalis	Clan CA, family C54, ATG4-like cysteine peptidase	0.0064	0.0543	0.1491
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0023	0.007	0.0801
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0318	0.3477	1
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0085	0.0785	0.1932
Trichomonas vaginalis	Clan CA, family C54, ATG4-like cysteine peptidase	0.0064	0.0543	0.1491
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.002	0.0029	0.0052
Entamoeba histolytica	hypothetical protein	0.0027	0.0114	0.0246
Trichomonas vaginalis	Clan CA, family C54, ATG4-like cysteine peptidase	0.0064	0.0543	0.1491
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0155	0.1597	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0155	0.1597	1
Echinococcus multilocularis	neuropeptide s receptor	0.0503	0.5617	0.5617
Giardia lamblia	Fructose-bisphosphate aldolase	0.0318	0.3477	1
Schistosoma mansoni	hypothetical protein	0.0184	0.1933	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0429	0.0809
Trypanosoma cruzi	AUT2/APG4/ATG4 cysteine peptidase, putative	0.0064	0.0543	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0085	0.0785	0.4425
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0114	0.0246
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0318	0.3477	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.023	0.0435
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.002	0.0029	0.0303
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.002	0.003	0.0009
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0318	0.3477	1
Schistosoma mansoni	family C54 unassigned peptidase (C54 family)	0.0064	0.0543	0.2811
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.002	0.0029	0.015
Echinococcus granulosus	cysteine protease atg4b	0.0064	0.0543	0.0967
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0155	0.1597	1
Echinococcus multilocularis	geminin	0.0184	0.1933	0.1933
Entamoeba histolytica	peptidase, C54 family	0.0025	0.0091	0.0179
Schistosoma mansoni	hypothetical protein	0.0184	0.1933	1
Echinococcus granulosus	serine protein kinase ATM	0.0027	0.0114	0.0203
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.002	0.0029	0.0029
Entamoeba histolytica	peptidase, C54 family	0.0025	0.0091	0.0179
Brugia malayi	Probable ClpP-like protease	0.0085	0.0785	0.8189
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0027	0.0114	0.1652
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0318	0.3477	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0085	0.0785	0.5
Brugia malayi	Peptidase family C54 containing protein	0.0064	0.0543	0.5667
Trypanosoma brucei	cysteine peptidase, Clan CA, family C54, putative	0.0025	0.0091	0.1202
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0318	0.3477	1
Trypanosoma cruzi	AUT2/APG4/ATG4 cysteine peptidase, putative	0.0025	0.0091	0.1202
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0085	0.0785	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.002	0.0029	0.0303
Schistosoma mansoni	hypothetical protein	0.0037	0.023	0.1191
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0429	0.0809
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0027	0.0114	0.059
Echinococcus granulosus	peptidase Clp S14 family	0.0056	0.0446	0.0794
Trichomonas vaginalis	Clan CA, family C54, ATG4-like cysteine peptidase	0.0064	0.0543	0.1491
Loa Loa (eye worm)	hypothetical protein	0.01	0.0959	0.181
Loa Loa (eye worm)	hypothetical protein	0.0023	0.007	0.0133
Treponema pallidum	fructose-bisphosphate aldolase	0.0318	0.3477	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C54, putative	0.0025	0.0091	0.1202
Entamoeba histolytica	peptidase, C54 family	0.0025	0.0091	0.0179
Leishmania major	AUT2/APG4/ATG4 cysteine peptidase, putative	0.0025	0.0091	0.1202
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.002	0.0029	0.015
Schistosoma mansoni	peptidase Clp (S14 family)	0.0085	0.0785	0.4062
Leishmania major	AUT2/APG4/ATG4 cysteine peptidase, putative	0.0064	0.0543	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0085	0.0785	0.5
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0027	0.0114	0.1652
Echinococcus granulosus	neuropeptide s receptor	0.0503	0.5617	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0318	0.3477	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0056	0.0446	0.0446
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0085	0.0785	1
Loa Loa (eye worm)	hypothetical protein	0.0475	0.5298	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0085	0.0785	0.1398
Brugia malayi	Phospholipase A2 family protein	0.01	0.0959	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.023	0.2401
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0085	0.0785	1
Echinococcus granulosus	neuropeptide receptor A26	0.0503	0.5617	1
Entamoeba histolytica	peptidase, C54 family	0.0064	0.0543	0.1491
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0318	0.3477	1
Schistosoma mansoni	family C54 unassigned peptidase (C54 family)	0.0064	0.0543	0.2811
Trichomonas vaginalis	Clan CA, family C54, ATG4-like cysteine peptidase	0.0064	0.0543	0.1491
Loa Loa (eye worm)	phosphatidylinositol 3	0.002	0.0029	0.0055

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 721384