TDR Targets

Basic information

Technical information

TDR Targets ID: 421301
Name: 2-(4-benzhydrylpiperazin-1-yl)-1-[3-(trifluor omethyl)phenoxy]ethanol
MW: 456.5 | Formula: C26H27F3N2O2
H donors: 1 H acceptors: 1 LogP: 5.29 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OC(Oc1cccc(c1)C(F)(F)F)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
InChi: 1S/C26H27F3N2O2/c27-26(28,29)22-12-7-13-23(18-22)33-24(32)19-30-14-16-31(17-15-30)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24-25,32H,14-17,19H2
InChiKey: GNESXQMYZWVQKE-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-(4-benzhydryl-1-piperazinyl)-1-[3-(trifluoromethyl)phenoxy]ethanol
2-(4-benzhydrylpiperazino)-1-[3-(trifluoromethyl)phenoxy]ethanol
IDI1_013414
Maybridge3_002027

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)	hypothetical protein	0.0032	0.0064	0.1877
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.0093	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0093	1
Mycobacterium leprae	conserved hypothetical protein	0.0034	0.0071	0.0003
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0013	0.1376
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0124	0.3609
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0039	0.0093	0.0227
Treponema pallidum	hypothetical protein	0.0034	0.0071	1
Treponema pallidum	hypothetical protein	0.0034	0.0071	1
Mycobacterium ulcerans	ATP-dependent DNA helicase	0.0067	0.0207	0.0435
Leishmania major	DNA polymerase kappa, putative	0.0039	0.0093	1
Treponema pallidum	ATP-dependent nuclease, subunit A	0.0034	0.0071	0.9987
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0093	1
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0039	0.0091	0.9771
Echinococcus granulosus	dna polymerase eta	0.0039	0.0093	0.0227
Mycobacterium leprae	conserved hypothetical protein	0.009	0.0298	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0039	0.0093	0.0227
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0093	1
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0039	0.0091	0.562
Toxoplasma gondii	exonuclease III APE	0.0019	0.0013	0.0792
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.0343	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0039	0.0093	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0124	0.03
Trichomonas vaginalis	DNA polymerase eta, putative	0.0039	0.0093	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0124	0.03
Trypanosoma brucei	DNA polymerase kappa, putative	0.0027	0.0044	0.4752
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.0343	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.0343	1
Echinococcus multilocularis	dna polymerase kappa	0.0039	0.0093	0.0093
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0013	0.0375
Chlamydia trachomatis	exodeoxyribonuclease V subunit gamma	0.1122	0.4477	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0013	0.1408
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0064	0.1877
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0064	0.0064
Echinococcus granulosus	GPCR family 2	0.0032	0.0064	0.0156
Schistosoma mansoni	hypothetical protein	0.1036	0.4126	1
Trypanosoma brucei	unspecified product	0.0039	0.0093	1
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0039	0.0091	0.9734
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0039	0.0093	0.0093
Trichomonas vaginalis	ATP-dependent DNA helicase rep, putative	0.0034	0.0071	0.7227
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0039	0.0091	0.9734
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0039	0.0091	1
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0039	0.0091	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0214	0.624
Treponema pallidum	DNA helicase II (uvrD)	0.0034	0.0071	0.9987
Echinococcus granulosus	hypothetical protein	0.0034	0.0071	0.0173
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0039	0.0093	0.0209
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0093	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0064	0.0156
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0013	0.1376
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0039	0.0091	0.2664
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0343	1
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0102	0.0348	0.2441
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0064	0.1877
Mycobacterium ulcerans	ATP-dependent DNA helicase	0.0067	0.0207	0.0435
Mycobacterium tuberculosis	Probable exonuclease V (alpha chain) RecD (exodeoxyribonuclease V alpha chain) (exodeoxyribonuclease V polypeptide)	0.0534	0.2094	0.4678
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0093	1
Giardia lamblia	DINP protein human, muc B family	0.0039	0.0093	0.0588
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0124	0.03
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0039	0.0091	0.0221
Echinococcus granulosus	geminin	0.1036	0.4126	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.0093	1
Mycobacterium tuberculosis	Probable exonuclease V (gamma chain) RecC (exodeoxyribonuclease V gamma chain)(exodeoxyribonuclease V polypeptide)	0.1122	0.4477	1
Schistosoma mansoni	hypothetical protein	0.0069	0.0214	0.0519
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0039	0.0091	0.9771
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0124	0.0124
Echinococcus granulosus	dna polymerase kappa	0.0039	0.0093	0.0227
Echinococcus multilocularis	dna polymerase eta	0.0039	0.0093	0.0093
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0013	0.1376
Mycobacterium ulcerans	hypothetical protein	0.0056	0.0163	0.0335
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.0093	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0013	0.1376
Toxoplasma gondii	UvrD/REP helicase domain-containing protein	0.0034	0.0071	0.4376
Chlamydia trachomatis	exodeoxyribonuclease V subunit alpha	0.0534	0.2094	0.4592
Mycobacterium ulcerans	exodeoxyribonuclease V (gamma chain), RecC	0.1122	0.4477	1
Schistosoma mansoni	hypothetical protein	0.1036	0.4126	1
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0039	0.0091	0.2664
Chlamydia trachomatis	exodeoxyribonuclease V subunit beta	0.0325	0.125	0.2675
Wolbachia endosymbiont of Brugia malayi	superfamily I DNA/RNA helicase	0.0034	0.0071	0.9987
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0064	0.0064
Mycobacterium ulcerans	exodeoxyribonuclease V (alpha chain), RecD	0.0534	0.2094	0.4663
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.0093	1
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0039	0.0091	1
Mycobacterium tuberculosis	Probable exonuclease V (beta chain) RecB (exodeoxyribonuclease V beta chain)(exodeoxyribonuclease V polypeptide) (chi-specific e	0.0358	0.1386	0.3095
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.0214	0.624
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.0093	1
Treponema pallidum	rep helicase, single-stranded DNA-dependent ATPase (rep)	0.0034	0.0071	0.9987
Onchocerca volvulus	Mitochondrial genome maintenance exonuclease 1 homolog	0.0034	0.0071	0.5
Giardia lamblia	RNA helicase, putative	0.0056	0.0163	0.1091
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0039	0.0093	0.2726
Leishmania major	DNA polymerase eta, putative	0.0039	0.0093	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.0093	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0039	0.0093	0.0209
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.0358	0.1385	1
Mycobacterium tuberculosis	Probable ATP-dependent DNA helicase II UvrD2	0.0034	0.0071	0.0159
Trypanosoma brucei	DNA polymerase kappa, putative	0.0027	0.0044	0.4752
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0013	0.0029
Mycobacterium ulcerans	DNA polymerase IV	0.0039	0.0093	0.0181
Trypanosoma brucei	DNA polymerase eta, putative	0.0039	0.0093	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0064	0.1877
Chlamydia trachomatis	exodeoxyribonuclease V subunit alpha	0.0534	0.2094	0.4592
Trypanosoma cruzi	ATP-dependent DNA helicase, putative	0.0034	0.0071	0.7608
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0013	0.0375
Wolbachia endosymbiont of Brugia malayi	RecB exonuclease	0.0034	0.0071	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent exoDNAse (exonuclease V) beta subunit, RecB	0.0034	0.0071	0.9987
Trypanosoma cruzi	DNA polymerase eta, putative	0.0039	0.0093	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0093	0.2726
Mycobacterium tuberculosis	Possible ATP-dependent DNA helicase	0.0067	0.0207	0.0462
Brugia malayi	ImpB/MucB/SamB family protein	0.0039	0.0093	0.2726
Schistosoma mansoni	ap endonuclease	0.0019	0.0013	0.0031
Schistosoma mansoni	ap endonuclease	0.0019	0.0013	0.0031
Plasmodium vivax	ATP-dependent DNA helicase UvrD, putative	0.0034	0.0071	0.7787
Mycobacterium tuberculosis	Probable ATP-dependent DNA helicase II UvrD1	0.0034	0.0071	0.0159
Trypanosoma brucei	unspecified product	0.0027	0.0044	0.4752
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0124	0.03
Mycobacterium ulcerans	hypothetical protein	0.0034	0.0071	0.0131
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0039	0.0093	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0124	0.3609
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0039	0.0091	0.0221
Schistosoma mansoni	hypothetical protein	0.0032	0.0064	0.0156
Giardia lamblia	DNA repair protein RAD52	0.0358	0.1385	1
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0039	0.0091	0.2664
Trypanosoma brucei	DNA polymerase kappa, putative	0.0027	0.0044	0.4752
Entamoeba histolytica	hypothetical protein	0.0102	0.0348	0.2441
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.0093	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0093	1
Echinococcus multilocularis	geminin	0.1036	0.4126	0.4126
Schistosoma mansoni	DNA polymerase eta	0.0039	0.0093	0.0227
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0093	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0039	0.0093	0.0227
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0013	0.1408
Toxoplasma gondii	hypothetical protein	0.0056	0.0163	1
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0039	0.0091	0.9771
Schistosoma mansoni	hypothetical protein	0.0032	0.0064	0.0156
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0034	0.0071	0.0159
Trypanosoma brucei	unspecified product	0.0027	0.0044	0.4752
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0093	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0124	0.03
Brugia malayi	ImpB/MucB/SamB family protein	0.0039	0.0093	0.2726
Trypanosoma cruzi	ATP-dependent DNA helicase, putative	0.0034	0.0071	0.7608
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0039	0.0091	0.2664
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0013	0.0013
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0124	0.0124
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0093	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0093	1
Plasmodium falciparum	ATP-dependent DNA helicase UvrD	0.0034	0.0071	0.7787
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0064	0.0156
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0039	0.0091	0.0091
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0064	0.0064
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0064	0.0156
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0039	0.0091	0.9771
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0013	0.0031
Mycobacterium ulcerans	DNA polymerase IV	0.0039	0.0093	0.0181
Echinococcus multilocularis	conserved hypothetical protein	0.0034	0.0071	0.0071
Mycobacterium tuberculosis	Probable ATP-dependent DNA helicase	0.0067	0.0207	0.0462
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0039	0.0093	0.0588
Mycobacterium ulcerans	ATP-dependent DNA helicase II UvrD1	0.0034	0.0071	0.013
Schistosoma mansoni	hypothetical protein	0.0032	0.0064	0.0156
Mycobacterium ulcerans	exodeoxyribonuclease V (beta chain), RecB	0.0325	0.125	0.2771

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 58.28 %	Inhibition of alpha1H T-type calcium channel Cav3.2 expressed in Xenopus unfertilized oocytes at 100 uM by two-electrode voltage clamp method	ChEMBL.	17074493
Inhibition (binding)	= 58.28 %	Inhibition of alpha1H T-type calcium channel Cav3.2 expressed in Xenopus unfertilized oocytes at 100 uM by two-electrode voltage clamp method	ChEMBL.	17074493

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

PubChem: 2809865

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 421301