TDR Targets

Basic information

Technical information

TDR Targets ID: 460411
Name: 1-[5-chloro-4-[4-(trifluoromethyl)phenyl]-1H- imidazol-2-yl]-4-[3-(trifluoromethyl)pyridin- 2-yl]piperazine
MW: 475.818 | Formula: C20H16ClF6N5
H donors: 1 H acceptors: 2 LogP: 5.77 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1nc([nH]c1c1ccc(cc1)C(F)(F)F)N1CCN(CC1)c1ncccc1C(F)(F)F
InChi: 1S/C20H16ClF6N5/c21-16-15(12-3-5-13(6-4-12)19(22,23)24)29-18(30-16)32-10-8-31(9-11-32)17-14(20(25,26)27)2-1-7-28-17/h1-7H,8-11H2,(H,29,30)
InChiKey: BTYALXYBVLKQFV-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-[5-chloro-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridyl]piperazine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Vanilloid receptor	Starlite/ChEMBL	References

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
Trichomonas vaginalis	AGC family protein kinase	0.0012	0.2715	0.2715
Echinococcus multilocularis	Glutaredoxin protein 5	0.0024	0.5885	0.8824
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0012	0.2715	0.3769
Trypanosoma brucei	inositol 1,4,5-trisphosphate receptor	0.0004	0.0352	0.0352
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0026	0.6622	0.6622
Toxoplasma gondii	transporter, cation channel family protein	0.0004	0.0352	0.0377
Entamoeba histolytica	protein kinase, putative	0.0039	1	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0036	0.9337	0.9313
Leishmania major	hypothetical protein, unknown function	0.0004	0.0352	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0004	0.0352	0.0377
Echinococcus multilocularis	transient receptor potential cation channel	0.0004	0.0434	0.0131
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0024	0.5959	1
Echinococcus multilocularis	protein kinase c iota type	0.0012	0.2715	0.3769
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0012	0.2715	0.3769
Echinococcus multilocularis	transient receptor potential cation channel	0.0004	0.0434	0.0131
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0004	0.0352	0.0377
Trypanosoma brucei	Voltage-dependent calcium channel subunit, putative	0.0004	0.0352	0.0352
Trypanosoma cruzi	Voltage-dependent calcium channel subunit, putative	0.0004	0.0352	0.0532
Trichomonas vaginalis	AGC family protein kinase	0.0039	1	1
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0012	0.2715	0.2449
Brugia malayi	olfactory channel protein osm-9	0.0004	0.0434	0.0085
Trichomonas vaginalis	AGC family protein kinase	0.0039	1	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0039	1	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0024	0.5959	0.8943
Schistosoma mansoni	transient receptor potential channel	0.0004	0.0434	0.0131
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0026	0.6622	0.6622
Echinococcus multilocularis	calcium activated potassium channel	0.0004	0.0427	0.0119
Brugia malayi	Protein kinase domain containing protein	0.0012	0.2715	0.2449
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0004	0.0352	0.0352
Echinococcus granulosus	Glutaredoxin protein 5	0.0024	0.5885	0.8824
Trichomonas vaginalis	AGC family protein kinase	0.0039	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0012	0.2715	0.2715
Schistosoma mansoni	serine/threonine kinase	0.0012	0.2715	0.3769
Echinococcus granulosus	serine threonine protein kinase nrc	0.0024	0.5959	0.8943
Leishmania major	hypothetical protein, conserved	0.0004	0.0352	1
Toxoplasma gondii	hypothetical protein	0.0004	0.0352	0.0377
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0026	0.6622	1
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0012	0.2715	0.2449
Entamoeba histolytica	protein kinase, putative	0.0039	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0015	0.3378	0.3378
Echinococcus granulosus	short transient receptor potential channel 6	0.0004	0.0434	0.0131
Trypanosoma cruzi	inositol 1,4,5-trisphosphate receptor, putative	0.0004	0.0352	0.0532
Toxoplasma gondii	AGC kinase	0.0036	0.9337	1
Toxoplasma gondii	hypothetical protein	0.0004	0.0352	0.0377
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0012	0.2715	0.3769
Schistosoma mansoni	serine/threonine-protein kinase	0.0026	0.6622	1
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0024	0.5959	0.8999
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0024	0.5885	0.8824
Giardia lamblia	Kinase, AGC PKA	0.0024	0.5959	0.5
Echinococcus multilocularis	rac serine:threonine kinase	0.0026	0.6622	1
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0434	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0012	0.2715	0.2449
Entamoeba histolytica	protein kinase, putative	0.0012	0.2715	0.2715
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0012	0.2715	0.2449
Echinococcus granulosus	serine:threonine protein kinase N2	0.0012	0.2715	0.3769
Trichomonas vaginalis	AGC family protein kinase	0.0039	1	1
Brugia malayi	Hr1 repeat family protein	0.0012	0.2715	0.2449
Schistosoma mansoni	serine/threonine protein kinase	0.0012	0.2715	0.3769
Schistosoma mansoni	atypical protein kinase C	0.0012	0.2715	0.3769
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0012	0.2715	0.3769
Schistosoma mansoni	serine/threonine-protein kinase	0.0026	0.6622	1
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0024	0.5885	0.8824
Toxoplasma gondii	transporter, cation channel family protein	0.0004	0.0352	0.0377
Onchocerca volvulus		0.0004	0.0352	0.5
Echinococcus multilocularis	nervana 2	0.0024	0.5885	0.8824
Schistosoma mansoni	serine/threonine protein kinase	0.0012	0.2715	0.3769
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0039	1	1
Echinococcus granulosus	transient receptor potential cation channel	0.0004	0.0434	0.0131
Schistosoma mansoni	serine/threonine protein kinase	0.0012	0.2715	0.3769
Echinococcus multilocularis	serine threonine protein kinase	0.0012	0.2715	0.3769
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0012	0.2715	0.3769
Schistosoma mansoni	serine/threonine protein kinase	0.0012	0.2715	0.3769
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0012	0.2715	0.3769
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0024	0.5959	1
Toxoplasma gondii	transporter, cation channel family protein	0.0004	0.0352	0.0377
Schistosoma mansoni	serine/threonine protein kinase	0.0012	0.2715	0.3769
Brugia malayi	protein kinase C II.	0.0012	0.2715	0.2449
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0024	0.5959	0.8943
Echinococcus granulosus	serine/threonine protein kinase	0.0026	0.6622	1
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0012	0.2715	0.3769
Echinococcus granulosus	protein kinase c epsilon type	0.0012	0.2715	0.3769
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0012	0.2715	0.3769
Trichomonas vaginalis	AGC family protein kinase	0.0039	1	1
Trypanosoma cruzi	Protein kinase B	0.0026	0.6622	1
Schistosoma mansoni	serine/threonine protein kinase	0.0012	0.2715	0.3769
Brugia malayi	Protein kinase domain containing protein	0.0012	0.2715	0.2449
Trichomonas vaginalis	AGC family protein kinase	0.0039	1	1
Entamoeba histolytica	protein kinase 2, putative	0.0024	0.5959	0.5959
Onchocerca volvulus	Transient receptor potential cation channel trpm homolog	0.0004	0.0352	0.5
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0036	0.9337	0.9313
Onchocerca volvulus	Transient receptor potential cation channel trpm homolog	0.0004	0.0352	0.5
Echinococcus granulosus	Protein kinase C brain isozyme	0.0012	0.2715	0.3769
Echinococcus multilocularis	nervana 2	0.0024	0.5885	0.8824
Echinococcus multilocularis	protein kinase c epsilon type	0.0012	0.2715	0.3769
Echinococcus granulosus	protein kinase c iota type	0.0012	0.2715	0.3769
Echinococcus granulosus	calcium activated potassium channel	0.0004	0.0427	0.0119
Echinococcus granulosus	nervana 2	0.0024	0.5885	0.8824
Entamoeba histolytica	protein kinase, putative	0.0036	0.9337	0.9337
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0012	0.2715	0.2449
Echinococcus granulosus	protein kinase C gamma type	0.0012	0.2715	0.3769
Trichomonas vaginalis	AGC family protein kinase	0.0012	0.2715	0.2715
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0012	0.2641	0.2641
Echinococcus multilocularis	short transient receptor potential channel 6	0.0004	0.0434	0.0131
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0012	0.2715	0.2449
Echinococcus granulosus	NDR protein kinase	0.0012	0.2715	0.3769
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0012	0.2715	0.3769
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0012	0.2715	0.2449
Trichomonas vaginalis	AGC family protein kinase	0.0039	1	1
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0004	0.0352	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0004	0.0352	0.0352
Echinococcus granulosus	nervana 2	0.0024	0.5885	0.8824
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0012	0.2715	0.3769
Schistosoma mansoni	serine/threonine protein kinase	0.0012	0.2715	0.3769

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 160 nM	Antagonist activity at rat TRPV1 expressed in CHO cells assessed blocking of capsaicin-induced calcium influx	ChEMBL.	17851073
IC50 (functional)	= 160 nM	Antagonist activity at rat TRPV1 expressed in CHO cells assessed blocking of capsaicin-induced calcium influx	ChEMBL.	17851073
IC50 (functional)	> 4000 nM	Antagonist activity at rat TRPV1 expressed in CHO cells assessed blocking of acid-induced calcium influx at pH 5	ChEMBL.	17851073
IC50 (functional)	> 4000 nM	Antagonist activity at rat TRPV1 expressed in CHO cells assessed blocking of acid-induced calcium influx at pH 5	ChEMBL.	17851073

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

ChEMBL: CHEMBL400108
PubChem: 11576513

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 460411