TDR Targets

Basic information

Technical information

TDR Targets ID: 609284
Name: (2-fluorophenyl)-[4-[[2-(trifluoromethyl)phen yl]methyl]piperazin-1-yl]methanone
MW: 366.353 | Formula: C19H18F4N2O
H donors: 0 H acceptors: 1 LogP: 3.67 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccccc1C(=O)N1CCN(CC1)Cc1ccccc1C(F)(F)F
InChi: 1S/C19H18F4N2O/c20-17-8-4-2-6-15(17)18(26)25-11-9-24(10-12-25)13-14-5-1-3-7-16(14)19(21,22)23/h1-8H,9-13H2
InChiKey: QDWPBDZWNRWDGK-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-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methanone
(2-fluorophenyl)-[4-[2-(trifluoromethyl)benzyl]piperazin-1-yl]methanone
(2-Fluoro-phenyl)-[4-(2-trifluoromethyl-benzyl)-piperazin-1-yl]-methanone
BAS 01042058

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
Brugia malayi	conserved hypotetical protein	0.0108	0.1201	0.4043
Schistosoma mansoni	nuclear receptor	0.0108	0.1201	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0121	0.139	0.4681
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0229	0.297	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0108	0.1201	0.1177
Brugia malayi	hypothetical protein	0.0121	0.139	0.4681
Loa Loa (eye worm)	RNA binding protein	0.0065	0.0574	0.1931
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0	0.5
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0229	0.297	1
Loa Loa (eye worm)	hypothetical protein	0.0229	0.297	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0121	0.139	0.4681
Echinococcus multilocularis	ecdysone induced protein 78C	0.0229	0.297	0.2951
Brugia malayi	Nuclear hormone receptor E75	0.0108	0.1201	0.4043
Loa Loa (eye worm)	hypothetical protein	0.0229	0.297	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0108	0.1201	0.4043
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0108	0.1201	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1201	0.4043
Brugia malayi	nuclear receptor RXR	0.0121	0.139	0.4681
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.0574	0.1931
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0108	0.1201	0.4043
Loa Loa (eye worm)	hypothetical protein	0.0121	0.139	0.4681
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0229	0.297	0.2951
Echinococcus multilocularis	microtubule associated protein 2	0.0709	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0229	0.297	0.2951
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0229	0.297	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0229	0.297	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0108	0.1201	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1201	0.4043
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0574	0.0549
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0026	0.0089
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0229	0.297	1
Brugia malayi	Nuclear hormone receptor E75	0.0108	0.1201	0.4043
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0108	0.1201	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1201	0.4043
Brugia malayi	nuclear hormone receptor	0.0229	0.297	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0121	0.139	0.1367
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0229	0.297	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0229	0.297	0.2951
Loa Loa (eye worm)	hypothetical protein	0.0121	0.139	0.4681
Brugia malayi	nuclear receptor NHR-88	0.0229	0.297	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1201	0.4043
Onchocerca volvulus	Protein ultraspiracle homolog	0.0229	0.297	1
Brugia malayi	hypothetical protein	0.0121	0.139	0.4681
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0229	0.297	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0108	0.1201	0.1177
Brugia malayi	hypothetical protein	0.0108	0.1201	0.4043
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0229	0.297	0.2951
Echinococcus multilocularis	nuclear receptor nhr 48	0.0108	0.1201	0.1177
Brugia malayi	TAR-binding protein	0.0065	0.0574	0.1931
Schistosoma mansoni	nuclear receptor nhr-48	0.0108	0.1201	0.1177
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0371	0.1248
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0229	0.297	0.2951
Brugia malayi	tailless protein	0.0108	0.1201	0.4043
Onchocerca volvulus		0.0229	0.297	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0229	0.297	0.2951
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0026	0.0089
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0108	0.1201	0.1177
Brugia malayi	orphan nuclear receptor NR2E1	0.0108	0.1201	0.4043
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0229	0.297	1
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.0574	0.1931
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0229	0.297	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.0574	0.1931
Schistosoma mansoni	retinoic acid receptor RXR	0.0229	0.297	0.2951
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0108	0.1201	0.1177
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0229	0.297	1
Onchocerca volvulus		0.0108	0.1201	0.3989
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0121	0.139	0.1367
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0229	0.297	0.2951
Loa Loa (eye worm)	steroid hormone receptor	0.0229	0.297	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1201	0.4043
Brugia malayi	nuclear receptor RXR	0.0108	0.1201	0.4043
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0108	0.1201	0.4043
Brugia malayi	nuclear hormone receptor family member odr-7	0.0108	0.1201	0.4043
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0229	0.297	0.2951
Brugia malayi	intermediate filament protein	0.0028	0.0026	0.0089
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0108	0.1201	0.1177
Echinococcus multilocularis	FTZ F1 alpha	0.0229	0.297	0.2951
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0371	0.1248
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0229	0.297	0.2951
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1201	0.4043
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0229	0.297	1
Loa Loa (eye worm)	hypothetical protein	0.0229	0.297	1
Leishmania major	hypothetical protein, conserved	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0026	0.0089
Brugia malayi	nuclear receptor NHR-88	0.0108	0.1201	0.4043
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0019	0.0064
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0229	0.297	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0574	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1201	0.4043
Brugia malayi	Nuclear hormone receptor-like 1	0.0121	0.139	0.4681
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0229	0.297	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0229	0.297	1
Onchocerca volvulus		0.0108	0.1201	0.3989
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0574	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1201	0.4043
Loa Loa (eye worm)	hypothetical protein	0.0229	0.297	1
Loa Loa (eye worm)	hypothetical protein	0.0229	0.297	1
Schistosoma mansoni	nuclear hormone receptor	0.0108	0.1201	0.1177
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0229	0.297	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0371	0.1248
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0108	0.1201	0.3989
Loa Loa (eye worm)	hypothetical protein	0.0121	0.139	0.4681
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0229	0.297	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0475	0.6576	0.6567
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0229	0.297	1
Brugia malayi	RNA binding protein	0.0065	0.0574	0.1931
Brugia malayi	hypothetical protein	0.0108	0.1201	0.4043
Echinococcus granulosus	neuropeptide s receptor	0.0475	0.6576	0.6567
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0229	0.297	0.2951
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0	0.5
Brugia malayi	ecdysteroid receptor	0.0229	0.297	1
Schistosoma mansoni	coup transcription factor	0.0229	0.297	0.2951
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0	0.5
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0108	0.1201	0.1177
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0026	0.0089
Brugia malayi	photoreceptor-specific nuclear receptor	0.0229	0.297	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0229	0.297	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0229	0.297	0.2951
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0133	0.0449
Onchocerca volvulus	Bile acid receptor homolog	0.0229	0.297	1
Loa Loa (eye worm)	hypothetical protein	0.0121	0.139	0.4681
Echinococcus granulosus	nuclear receptor nhr 48	0.0108	0.1201	0.1177
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0229	0.297	1
Brugia malayi	nuclear receptor NHR-67	0.0108	0.1201	0.4043
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0	0.5
Echinococcus granulosus	thyroid hormone receptor alpha	0.0108	0.1201	0.1177
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0229	0.297	0.2951
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0574	0.0549
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0229	0.297	0.2951
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1201	0.4043
Echinococcus multilocularis	neuropeptide s receptor	0.0475	0.6576	0.6567
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0229	0.297	0.2951
Brugia malayi	ecdysone receptor	0.0108	0.1201	0.4043
Schistosoma mansoni	zinc finger protein	0.0108	0.1201	0.1177
Schistosoma mansoni	microtubule-associated protein tau	0.0709	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0229	0.297	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0133	0.0449
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0229	0.297	0.2951
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1201	0.4043
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0229	0.297	0.2951
Loa Loa (eye worm)	DR-78	0.0108	0.1201	0.4043
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0108	0.1201	0.1177
Schistosoma mansoni	thyroid hormone receptor	0.0229	0.297	0.2951
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1201	0.4043
Brugia malayi	nuclear hormone receptor	0.0108	0.1201	0.4043
Schistosoma mansoni	hypothetical protein	0.0035	0.0133	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1201	0.4043
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0229	0.297	0.2951
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0121	0.139	0.1367
Echinococcus granulosus	FTZ F1 alpha	0.0229	0.297	0.2951
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0229	0.297	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0229	0.297	0.2951
Schistosoma mansoni	nuclear receptor	0.0108	0.1201	0.1177
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0229	0.297	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0108	0.1201	0.4043
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0229	0.297	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0229	0.297	0.2951
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0229	0.297	0.2951
Schistosoma mansoni	nuclear hormone receptor	0.0108	0.1201	0.1177
Echinococcus granulosus	neuropeptide receptor A26	0.0475	0.6576	0.6567
Schistosoma mansoni	nuclear hormone receptor	0.0229	0.297	0.2951
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0371	0.1248
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0229	0.297	0.2951
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0574	0.0549
Brugia malayi	Steroid receptor seven-up type 2	0.0229	0.297	1
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.0574	0.0549
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0229	0.297	1
Echinococcus granulosus	tar DNA binding protein	0.0065	0.0574	0.0549
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0229	0.297	0.2951
Brugia malayi	steroid hormone receptor	0.0229	0.297	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0121	0.139	0.4681
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1201	0.4043
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0229	0.297	0.2951
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0108	0.1201	0.4043
Loa Loa (eye worm)	hypothetical protein	0.0229	0.297	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0121	0.139	0.1367
Schistosoma mansoni	thyroid hormone receptor	0.0229	0.297	0.2951
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0108	0.1201	0.3989
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0108	0.1201	0.1177

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence.	ChEMBL.	22096101
CC50 (functional)	> 100 uM	Huh7 cytotoxicity for Pf inhibitors	Novartis-GNF Malaria Box.	No reference
CC50	> 100 uM	NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7)	ChEMBL.	18579783
EC50 (functional)	= 0.511 uM	PF proliferation inhibition 3D7	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 0.511 uM	NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
EC50 (functional)	= 2.472 uM	W2 Pf proliferation inhibition	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 2.472 uM	NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
IFI promiscuity index	= 0.01176	IFI promiscuity index	Novartis-GNF Malaria Box.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	18579783

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

ChEMBL: CHEMBL576187
Search by Novartis-GNF Malaria Box
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 609284