TDR Targets

Basic information

Technical information

TDR Targets ID: 678025
Name: 1-[4-[4-fluoro-5-(4-methylpiperazin-1-yl)-2-n itrophenyl]piperazin-1-yl]ethanone
MW: 365.403 | Formula: C17H24FN5O3
H donors: 0 H acceptors: 3 LogP: 1.18 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)c1cc(N2CCN(CC2)C(=O)C)c(cc1F)[N+](=O)[O-]
InChi: 1S/C17H24FN5O3/c1-13(24)20-7-9-22(10-8-20)16-12-15(14(18)11-17(16)23(25)26)21-5-3-19(2)4-6-21/h11-12H,3-10H2,1-2H3
InChiKey: JGRFTNMCCRXVNY-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1-[4-[4-fluoro-5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]piperazin-1-yl]ethanone
1-[4-[4-fluoro-5-(4-methyl-1-piperazinyl)-2-nitrophenyl]-1-piperazinyl]ethanone
A3154/0133380

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 multilocularis	Glutamate receptor, ionotropic kainate 2	0.0047	0.0763	0.1063
Trichomonas vaginalis	cdc25b, putative	0.0057	0.1277	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0137	0.546	0.7608
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0057	0.1277	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0139	0.0299
Schistosoma mansoni	hypothetical protein	0.004	0.0379	0.0383
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0139	0.0299
Schistosoma mansoni	glutamate receptor AMPA	0.0039	0.0372	0.0374
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0139	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0139	0.0299
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0138	0.0109
Loa Loa (eye worm)	glutamate receptor 1	0.0039	0.0372	0.101
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0457	0.279
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.0457	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1045	0.3068
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0138	0.0192
Schistosoma mansoni	hypothetical protein	0.004	0.0379	0.0383
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0139	0.5
Schistosoma mansoni	glutamate receptor AMPA	0.0039	0.0372	0.0374
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0139	0.5
Echinococcus multilocularis	Niemann Pick C1 protein	0.0137	0.546	0.7608
Onchocerca volvulus		0.0057	0.1277	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0138	0.0192
Schistosoma mansoni	glutamate receptor kainate	0.0039	0.0372	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0139	0.0299
Echinococcus multilocularis	expressed conserved protein	0.009	0.301	0.4193
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0843	0.245
Brugia malayi	Rhodanese-like domain containing protein	0.0057	0.1277	0.3777
Echinococcus multilocularis	protein patched	0.0041	0.0457	0.0636
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0057	0.1277	1
Mycobacterium ulcerans	lipase LipD	0.0035	0.0139	0.5
Echinococcus granulosus	glutamate receptor 2	0.0047	0.0763	0.1063
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0843	0.245
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0057	0.1277	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0139	0.0111
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0139	0.5
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0047	0.0763	0.1063
Echinococcus multilocularis	glutamate receptor 2	0.0039	0.0372	0.0518
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0039	0.0372	0.0518
Brugia malayi	CHE-14 protein	0.0041	0.0457	0.1269
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0139	0.5
Trichomonas vaginalis	cdc25c, putative	0.0057	0.1277	1
Onchocerca volvulus		0.0057	0.1277	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0097	0.3391	0.3794
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0139	0.0111
Echinococcus multilocularis	glutamate receptor 2	0.0047	0.0763	0.1063
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1277	0.3777
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.0457	0.0636
Echinococcus multilocularis	m phase inducer phosphatase(cdc25)	0.0057	0.1277	0.1779
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.0457	0.0636
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0139	0.5
Echinococcus granulosus	nmda type glutamate receptor	0.0162	0.6805	0.9482
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0457	0.1269
Entamoeba histolytica	rodhanase-like domain containing protein	0.0057	0.1277	0.3588
Loa Loa (eye worm)	hypothetical protein	0.0096	0.3313	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0139	0.0299
Schistosoma mansoni	m-phase inducer phosphatase(cdc25)	0.0057	0.1277	0.14
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0139	0.0194
Echinococcus granulosus	glutamate receptor NMDA	0.0155	0.6414	0.8937
Schistosoma mansoni	ATP-binding cassette transporter	0.0039	0.0372	0.0374
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0047	0.0763	0.1063
Echinococcus granulosus	Niemann Pick C1 protein	0.0096	0.3313	0.4616
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0047	0.0763	0.1063
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0139	0.0299
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0139	0.5
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0057	0.1277	1
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0139	0.5
Echinococcus multilocularis	protein dispatched 1	0.0047	0.076	0.1059
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1045	0.3068
Brugia malayi	Rhodanese-like domain containing protein	0.0057	0.1277	0.3777
Leishmania major	hypothetical protein, conserved	0.0035	0.0139	0.5
Trichomonas vaginalis	cdc25b, putative	0.0057	0.1277	1
Brugia malayi	hypothetical protein	0.0035	0.0138	0.0295
Echinococcus granulosus	expressed conserved protein	0.009	0.301	0.4193
Echinococcus multilocularis	glutamate receptor NMDA	0.0155	0.6414	0.8937
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0139	0.5
Echinococcus multilocularis	nmda type glutamate receptor	0.017	0.7177	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0139	0.0194
Echinococcus multilocularis	nmda type glutamate receptor	0.0162	0.6805	0.9482
Echinococcus multilocularis	geminin	0.0165	0.6921	0.9644
Echinococcus granulosus	geminin	0.0165	0.6921	0.9644
Brugia malayi	Glutamate receptor 1 precursor	0.0039	0.0372	0.101
Schistosoma mansoni	glutamate receptor kainate	0.0039	0.0372	0.0374
Schistosoma mansoni	glutamate receptor NMDA	0.0202	0.8868	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0047	0.0763	0.1063
Echinococcus granulosus	nmda type glutamate receptor	0.017	0.7177	1
Schistosoma mansoni	hypothetical protein	0.0165	0.6921	0.7795
Echinococcus granulosus	m phase inducer phosphatasecdc25	0.0057	0.1277	0.1779
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0096	0.3313	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0139	0.5
Entamoeba histolytica	rodhanase-like domain containing protein	0.0057	0.1277	0.3588
Entamoeba histolytica	rodhanase-like domain containing protein	0.0057	0.1277	0.3588
Schistosoma mansoni	patched 1	0.0041	0.0457	0.0471
Toxoplasma gondii	ABC1 family protein	0.0035	0.0139	0.5
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0047	0.0763	0.1063
Onchocerca volvulus		0.0057	0.1277	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0139	0.0299
Loa Loa (eye worm)	glutamate receptor 2	0.0039	0.0372	0.101
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1277	0.3777
Schistosoma mansoni	hypothetical protein	0.0165	0.6921	0.7795
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0047	0.0763	0.1063
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0139	0.0299
Onchocerca volvulus		0.0057	0.1277	1
Brugia malayi	Glutamate receptor 2 precursor	0.0039	0.0372	0.101
Schistosoma mansoni	glutamate receptor NMDA	0.0039	0.0372	0.0374
Brugia malayi	beta-lactamase	0.0035	0.0139	0.0299
Schistosoma mansoni	hypothetical protein	0.004	0.0379	0.0383
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0843	0.245
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0039	0.0372	0.0518
Schistosoma mansoni	glutamate receptor kainate	0.0039	0.0372	0.0374
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0843	0.245
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0139	0.0299
Echinococcus multilocularis	Niemann Pick C1 protein	0.0096	0.3313	0.4616
Loa Loa (eye worm)	hypothetical protein	0.005	0.094	0.2746
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0139	0.0299
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.0457	0.1269
Schistosoma mansoni	hypothetical protein	0.004	0.0379	0.0383
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0139	0.0299
Schistosoma mansoni	hypothetical protein	0.0035	0.0138	0.0109
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0057	0.1277	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0047	0.0763	0.1063
Brugia malayi	Niemann-Pick C1 protein precursor	0.0096	0.3313	1

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

Search by Saint Jude

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 678025