TDR Targets

Basic information

Technical information

TDR Targets ID: 709400
Name: N-(2-methoxy-4-nitrophenyl)-4-[3-(trifluorome thyl)phenyl]piperazine-1-carboxamide
MW: 424.374 | Formula: C19H19F3N4O4
H donors: 1 H acceptors: 3 LogP: 3.39 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1NC(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)[N+](=O)[O-]
InChi: 1S/C19H19F3N4O4/c1-30-17-12-15(26(28)29)5-6-16(17)23-18(27)25-9-7-24(8-10-25)14-4-2-3-13(11-14)19(20,21)22/h2-6,11-12H,7-10H2,1H3,(H,23,27)
InChiKey: PZEWSWISZOWGSZ-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-(2-methoxy-4-nitro-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
N-(2-methoxy-4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide
IVK/1635175

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)	glutaminase 2	0.0285	0.716	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0118	0.0044
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1004	0.1004
Schistosoma mansoni	cpg binding protein	0.0029	0.0623	0.0623
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0372	1
Echinococcus multilocularis	geminin	0.0177	0.4389	0.4347
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0372	0.5
Toxoplasma gondii	hypothetical protein	0.0051	0.117	0.9389
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.001	0.0135	0.0061
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0372	0.0463
Trichomonas vaginalis	DNA helicase recq, putative	0.0025	0.0511	0.0672
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0118	0.0044
Echinococcus granulosus	bloom syndrome protein	0.0025	0.0511	0.044
Loa Loa (eye worm)	glutaminase	0.0285	0.716	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.1407	0.1407
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0017	0.0298	0.2363
Schistosoma mansoni	cpg binding protein	0.0028	0.0582	0.0582
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.1004	0.1261
Toxoplasma gondii	exonuclease III APE	0.002	0.0372	0.2958
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.1004	0.0936
Plasmodium vivax	SET domain protein, putative	0.003	0.0626	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0372	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0032	0.00000000015285
Loa Loa (eye worm)	hypothetical protein	0.001	0.0135	0.0181
Trichomonas vaginalis	DNA helicase recq, putative	0.0013	0.0213	0.0254
Schistosoma mansoni	DNA helicase recq5	0.001	0.0135	0.0135
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0032	0.00000000015285
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0372	0.7958
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0372	0.0207
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.1004	0.1395
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.1003	0.126
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0583	0.0512
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0315	0.7924	1
Echinococcus multilocularis	dnaJ subfamily B	0.0396	1	1
Trichomonas vaginalis	glutaminase, putative	0.0285	0.716	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0054	0.1251	0.1573
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0372	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0315	0.7924	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0044	0.1003	0.126
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0032	0.00000000015285
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0.0135	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0126	0.3093	0.4315
Trichomonas vaginalis	DNA helicase recq1, putative	0.0025	0.0511	0.0672
Schistosoma mansoni	DNA helicase recq1	0.001	0.0135	0.0135
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0626	0.0626
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0626	0.0555
Schistosoma mansoni	hypothetical protein	0.0177	0.4389	0.4389
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0626	0.0626
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0032	0.00000000015285
Echinococcus granulosus	cpg binding protein	0.0029	0.0623	0.0552
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0.0135	0.0061
Schistosoma mansoni	ap endonuclease	0.002	0.0372	0.0372
Schistosoma mansoni	ap endonuclease	0.002	0.0372	0.0372
Brugia malayi	Bloom's syndrome protein homolog	0.0025	0.0511	0.0562
Trichomonas vaginalis	set domain proteins, putative	0.023	0.5752	0.8025
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0022	0.0433	1
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0372	0.0365
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0626	0.0626
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0166	0.4113	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0372	0.5949
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0372	0.03
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.1003	0.126
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0135	0.0028
Onchocerca volvulus		0.003	0.0626	0.0084
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0135	0.0028
Leishmania major	mitochondrial DNA polymerase beta	0.0315	0.7924	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0626	0.0867
Schistosoma mansoni	blooms syndrome DNA helicase	0.0005	0.0005	0.0005
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0582	0.0806
Schistosoma mansoni	hypothetical protein	0.0396	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0032	0.00000000015285
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.1004	0.0936
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0032	0.00000000015285
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1004	0.1004
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0626	0.0626
Loa Loa (eye worm)	RecQ helicase	0.0025	0.0511	0.0706
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0135	0.1045
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0044	0.1003	0.1025
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0372	0.0477
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0075	0.0075
Onchocerca volvulus		0.023	0.5752	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.1245	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0032	0.00000000015285
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0032	0.00000000015285
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0135	0.1045
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0626	0.5001
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0372	0.03
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0372	0.0463
Mycobacterium ulcerans	glutaminase	0.0285	0.716	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.1004	0.0936
Brugia malayi	Pre-SET motif family protein	0.003	0.0626	0.0724
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.504	0.7037
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0626	0.0555
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0582	0.0663
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0626	0.0555
Entamoeba histolytica	recQ family DNA helicase	0.0005	0.0005	0.0138
Schistosoma mansoni	glutaminase	0.0285	0.716	0.716
Schistosoma mansoni	hypothetical protein	0.0177	0.4389	0.4389
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0149	0.3682	0.4499
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0315	0.7924	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0149	0.3682	0.4643
Schistosoma mansoni	cpg binding protein	0.0029	0.0623	0.0623
Brugia malayi	Pre-SET motif family protein	0.0202	0.504	0.6991
Entamoeba histolytica	recQ family helicase, putative	0.0013	0.0213	0.5711
Echinococcus multilocularis	bloom syndrome protein	0.0025	0.0511	0.044
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0017	0.0304	0.485
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.1004	0.0936
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0372	0.0513
Brugia malayi	glutaminase DH11.1	0.0285	0.716	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1004	0.1004
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0372	0.0207
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.001	0.0135	0.0181
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0372	0.0477
Mycobacterium ulcerans	hypothetical protein	0.0166	0.4113	0.5511
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0118	0.0157
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0.0135	0.0061
Echinococcus granulosus	geminin	0.0177	0.4389	0.4347
Schistosoma mansoni	blooms syndrome DNA helicase	0.002	0.0376	0.0376
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0213	0.0262
Echinococcus multilocularis	cpg binding protein	0.0029	0.0623	0.0552
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0149	0.3682	0.4499

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 709400