TDR Targets

Basic information

Technical information

TDR Targets ID: 737027
Name: 1-[(2-fluorophenyl)methyl]-4-[3-(trifluoromet hyl)phenyl]piperazine
MW: 338.343 | Formula: C18H18F4N2
H donors: 0 H acceptors: 0 LogP: 4.33 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccccc1CN1CCN(CC1)c1cccc(c1)C(F)(F)F
InChi: 1S/C18H18F4N2/c19-17-7-2-1-4-14(17)13-23-8-10-24(11-9-23)16-6-3-5-15(12-16)18(20,21)22/h1-7,12H,8-11,13H2
InChiKey: VUQKZSZGKKFBNO-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

1-(2-fluorobenzyl)-4-[3-(trifluoromethyl)phenyl]piperazine

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	neuropeptide receptor A26	0.0448	0.6099	0.6093
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0015	0.5
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.0391	0.2833
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0257	0.1827
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0113	0.1342	0.1347
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.0391	0.2833
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0113	0.1342	0.1329
Echinococcus granulosus	chromobox protein 1	0.0076	0.0817	0.0804
Schistosoma mansoni	hypothetical protein	0.0115	0.1378	0.1366
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0049	0.0435	0.3164
Echinococcus granulosus	chromobox protein 1	0.0076	0.0817	0.0804
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0107	0.0678
Schistosoma mansoni	transcription factor LCR-F1	0.0116	0.1381	0.1368
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0049	0.0435	0.3164
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0192	0.1333
Schistosoma mansoni	hypothetical protein	0.0115	0.1378	0.1366
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0001
Brugia malayi	beta-lactamase	0.0113	0.1342	0.2709
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0015	0.0015
Echinococcus multilocularis	survival motor neuron protein 1	0.0229	0.2992	0.2982
Mycobacterium leprae	Probable lipase LipE	0.0113	0.1342	1
Onchocerca volvulus		0.0047	0.0405	0.2411
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0152	0.1033
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0113	0.1342	1
Schistosoma mansoni	hypothetical protein	0.0115	0.1378	0.1366
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0116	0.0763
Trichomonas vaginalis	D-aminoacylase, putative	0.0113	0.1342	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0115	0.0759
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0456	0.0442
Schistosoma mansoni	hypothetical protein	0.0249	0.3277	0.3268
Onchocerca volvulus		0.0033	0.0214	0.0869
Entamoeba histolytica	hypothetical protein	0.0116	0.1381	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0345	0.0674
Schistosoma mansoni	tar DNA-binding protein	0.0195	0.2503	0.2492
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0169	0.1161
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0113	0.1342	0.2709
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0049	0.0435	0.3164
Brugia malayi	TAR-binding protein	0.0195	0.2503	0.5079
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0115	0.1378	0.1366
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0049	0.0435	0.0421
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0113	0.1342	0.1347
Schistosoma mansoni	hypothetical protein	0.0116	0.1381	0.1368
Echinococcus multilocularis	neuropeptide receptor A26	0.0448	0.6099	0.6093
Brugia malayi	RNA recognition motif domain containing protein	0.0195	0.2503	0.5079
Onchocerca volvulus		0.0113	0.1342	1
Trichomonas vaginalis	chromobox protein, putative	0.0076	0.0817	0.6049
Echinococcus multilocularis	neuropeptide s receptor	0.0448	0.6099	0.6093
Loa Loa (eye worm)	hypothetical protein	0.0113	0.1342	0.2709
Trichomonas vaginalis	esterase, putative	0.0113	0.1342	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0257	0.1827
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0107	0.0189
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0365	0.4914	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0107	0.0108
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0293	0.2096
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0107	0.0189
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0293	0.2096
Entamoeba histolytica	hypothetical protein	0.0116	0.1381	1
Loa Loa (eye worm)	beta-lactamase	0.0113	0.1342	0.2709
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0107	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0113	0.1342	0.2709
Echinococcus multilocularis	tar DNA binding protein	0.0195	0.2503	0.2492
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0156	0.1064
Brugia malayi	RNA binding protein	0.0195	0.2503	0.5079
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0049	0.0435	0.3073
Brugia malayi	beta-lactamase family protein	0.0113	0.1342	0.2709
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0049	0.0435	0.3164
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0206	0.1446
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0116	0.1381	0.1368
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0365	0.4914	1
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0107	0.0189
Trypanosoma cruzi	target of rapamycin kinase 3	0.0039	0.0293	0.2101
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0333	0.2401
Mycobacterium ulcerans	hypothetical protein	0.0113	0.1342	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0113	0.1342	0.1329
Echinococcus multilocularis	GPCR, family 2	0.0115	0.1378	0.1366
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0107	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0214	0.0408
Trichomonas vaginalis	penicillin-binding protein, putative	0.0113	0.1342	1
Loa Loa (eye worm)	hypothetical protein	0.0115	0.1378	0.2784
Brugia malayi	hypothetical protein	0.0116	0.1381	0.2789
Schistosoma mansoni	hypothetical protein	0.0115	0.1378	0.1366
Trichomonas vaginalis	D-aminoacylase, putative	0.0113	0.1342	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0049	0.0435	0.3073
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0049	0.0435	0.3164
Mycobacterium tuberculosis	Conserved protein	0.0113	0.1342	0.1347
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0049	0.0435	0.3164
Echinococcus granulosus	beta LACTamase domain containing family member	0.0113	0.1342	0.1329
Schistosoma mansoni	tar DNA-binding protein	0.0195	0.2503	0.2492
Trypanosoma cruzi	hypothetical protein, conserved	0.0113	0.1342	1
Mycobacterium ulcerans	lipase LipD	0.0113	0.1342	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0293	0.2096
Mycobacterium leprae	conserved hypothetical protein	0.0113	0.1342	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0195	0.2503	0.5079
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0107	0.0108
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0107	0.0699
Brugia malayi	Latrophilin receptor protein 2	0.0115	0.1378	0.2784
Plasmodium vivax	hypothetical protein, conserved	0.0113	0.1342	1
Onchocerca volvulus		0.0113	0.1342	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0076	0.0817	0.1639
Echinococcus granulosus	GPCR family 2	0.0115	0.1378	0.1366
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0345	0.1924
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0046	0.0391	0.2295
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0107	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0249	0.3277	0.666
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0049	0.0435	0.0857
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0113	0.1342	0.2709
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0156	0.1064
Schistosoma mansoni	microtubule-associated protein tau	0.0723	1	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0405	0.0391
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0049	0.0435	0.3164
Trypanosoma cruzi	hypothetical protein, conserved	0.0113	0.1342	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0107	0.0699
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0049	0.0435	0.3164
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0721	0.9962	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0115	0.1378	0.2784
Brugia malayi	latrophilin 2 splice variant baaae	0.0249	0.3277	0.666
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0365	0.4914	1
Entamoeba histolytica	hypothetical protein	0.0116	0.1381	1
Mycobacterium tuberculosis	Conserved protein	0.0113	0.1342	0.1347
Onchocerca volvulus		0.0113	0.1342	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0257	0.1827
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0113	0.1342	0.1347
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0115	0.0759
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0049	0.0435	0.0421
Mycobacterium tuberculosis	Probable lipase LipD	0.0113	0.1342	0.1347
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0345	0.2488
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0049	0.0435	0.3164
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0107	0.0189
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.002	0.003	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0229	0.2992	0.6078
Trichomonas vaginalis	chromobox protein, putative	0.0076	0.0817	0.6049
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0152	0.1033
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0115	0.1378	0.1366
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0039	0.0293	0.2101
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0001
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0023	0.0069	0.0413
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0107	0.0699
Echinococcus granulosus	tumor protein p63	0.0344	0.4619	0.4611
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0107	0.0699
Schistosoma mansoni	chromobox protein	0.0076	0.0817	0.0804
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0116	0.1381	0.1368
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0039	0.0293	0.2101
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0107	0.0699
Loa Loa (eye worm)	RNA binding protein	0.0195	0.2503	0.5079
Schistosoma mansoni	tar DNA-binding protein	0.0195	0.2503	0.2492
Echinococcus multilocularis	microtubule associated protein 2	0.0723	1	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0113	0.1342	0.1347
Brugia malayi	beta-lactamase family protein	0.0113	0.1342	0.2709
Echinococcus multilocularis	chromobox protein 1	0.0076	0.0817	0.0804
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0107	0.0189
Loa Loa (eye worm)	TAR-binding protein	0.0195	0.2503	0.5079
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0107	0.0699
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0345	0.2488
Trypanosoma brucei	hypothetical protein, conserved	0.0113	0.1342	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0001
Toxoplasma gondii	ABC1 family protein	0.0113	0.1342	1
Brugia malayi	chromobox protein homolog 3	0.0043	0.0345	0.0674
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0015	0.0015
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0405	0.0797
Echinococcus granulosus	tar DNA binding protein	0.0195	0.2503	0.2492
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0257	0.1827
Mycobacterium tuberculosis	Probable lipase LipE	0.0113	0.1342	0.1347
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0107	0.0678
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0113	0.1342	0.2709
Mycobacterium tuberculosis	Probable hydrolase	0.0113	0.1342	0.1347
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0257	0.1827
Echinococcus granulosus	survival motor neuron protein 1	0.0229	0.2992	0.2982
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0116	0.0763
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0293	0.2096
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0049	0.0435	0.0421
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0116	0.0763
Trichomonas vaginalis	D-aminoacylase, putative	0.0113	0.1342	1
Brugia malayi	Heterochromatin protein 1	0.0076	0.0817	0.1639
Mycobacterium ulcerans	esterase/lipase LipP	0.0113	0.1342	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0456	0.09
Schistosoma mansoni	tar DNA-binding protein	0.0195	0.2503	0.2492
Leishmania major	hypothetical protein, conserved	0.0113	0.1342	1
Loa Loa (eye worm)	hypothetical protein	0.0113	0.1342	0.2709
Echinococcus multilocularis	chromobox protein 1	0.0076	0.0817	0.0804
Mycobacterium ulcerans	beta-lactamase	0.0113	0.1342	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0115	0.1378	0.1366
Giardia lamblia	GTOR	0.0049	0.0435	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0107	0.0189
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0257	0.1827
Loa Loa (eye worm)	hypothetical protein	0.0365	0.4914	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0015	0.0002
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0107	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0113	0.1342	0.2709
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0001
Brugia malayi	hypothetical protein	0.0229	0.2992	0.6078
Echinococcus granulosus	neuropeptide s receptor	0.0448	0.6099	0.6093
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0116	0.0763
Schistosoma mansoni	chromobox protein	0.0076	0.0817	0.0804
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0156	0.1064
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0015	0.5
Echinococcus multilocularis	tumor protein p63	0.0344	0.4619	0.4611
Loa Loa (eye worm)	hypothetical protein	0.0113	0.1342	0.2709
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0115	0.1378	0.2784
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0115	0.1378	0.1366
Loa Loa (eye worm)	phosphatidylinositol 3	0.0049	0.0435	0.0857
Onchocerca volvulus		0.005	0.0456	0.2823
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0293	0.2096
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0107	0.0678
Entamoeba histolytica	hypothetical protein	0.0116	0.1381	1
Mycobacterium tuberculosis	Conserved protein	0.0113	0.1342	0.1347
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0405	0.0391
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0169	0.1161
Trichomonas vaginalis	penicillin-binding protein, putative	0.0113	0.1342	1
Schistosoma mansoni	tar DNA-binding protein	0.0195	0.2503	0.2492
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0113	0.1342	0.1329
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0257	0.1827
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0115	0.0759
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0107	0.0699

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 737027