TDR Targets

Basic information

Technical information

TDR Targets ID: 319261
Name: 6-tert-butyl-2-[4-(3-chloropyridin-2-yl)piper azin-1-yl]-1H-benzimidazole
MW: 369.891 | Formula: C20H24ClN5
H donors: 1 H acceptors: 2 LogP: 5.1 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccnc1N1CCN(CC1)c1nc2c([nH]1)ccc(c2)C(C)(C)C
InChi: 1S/C20H24ClN5/c1-20(2,3)14-6-7-16-17(13-14)24-19(23-16)26-11-9-25(10-12-26)18-15(21)5-4-8-22-18/h4-8,13H,9-12H2,1-3H3,(H,23,24)
InChiKey: HLFPSEKSWJSPOD-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

6-tert-butyl-2-[4-(3-chloro-2-pyridyl)piperazin-1-yl]-1H-benzimidazole
6-tert-butyl-2-[4-(3-chloro-2-pyridyl)-1-piperazinyl]-1H-benzimidazole
6-tert-butyl-2-[4-(3-chloro-2-pyridyl)piperazino]-1H-benzimidazole

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Vanilloid receptor	Starlite/ChEMBL	References
Homo sapiens	transient receptor potential cation channel, subfamily V, member 1	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
Brugia malayi	hypothetical protein	0.0028	0.0162	0.0619
Onchocerca volvulus	Ribonuclease H1 homolog	0.033	0.2618	1
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0028	0.0162	0.0619
Brugia malayi	Pao retrotransposon peptidase family protein	0.0028	0.0162	0.0619
Trichomonas vaginalis	ribonuclease H1, putative	0.033	0.2618	1
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0028	0.0162	0.0619
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0028	0.0162	0.0619
Treponema pallidum	ribonuclease H (rnhA)	0.033	0.2618	0.5
Toxoplasma gondii	ribonuclease HI protein	0.033	0.2618	0.5
Brugia malayi	Pao retrotransposon peptidase family protein	0.0028	0.0162	0.0619
Schistosoma mansoni	hypothetical protein	0.0028	0.0162	0.0162
Echinococcus granulosus	transient receptor potential cation channel	0.0008	0.000000016372	0.000000062531
Trypanosoma brucei	ribonuclease H1	0.033	0.2618	0.2497
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0028	0.0162	0.0619
Echinococcus granulosus	RNA directed DNA polymerase	0.0028	0.0162	0.0619
Trypanosoma cruzi	ribonuclease H1, putative	0.033	0.2618	1
Echinococcus granulosus	KRAB A domain containing protein	0.0028	0.0162	0.0619
Brugia malayi	Pao retrotransposon peptidase family protein	0.0028	0.0162	0.0619
Brugia malayi	Pao retrotransposon peptidase family protein	0.0028	0.0162	0.0619
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0028	0.0162	0.0619
Brugia malayi	RNase H family protein	0.033	0.2618	1
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0028	0.0162	0.0619
Brugia malayi	Zinc knuckle family protein	0.0028	0.0162	0.0619
Schistosoma mansoni	phosphoglucomutase	0.033	0.2618	0.2618
Mycobacterium tuberculosis	Possible maturase	0.0028	0.0162	0.5
Brugia malayi	Pao retrotransposon peptidase family protein	0.0028	0.0162	0.0619
Schistosoma mansoni	protein kinase	0.0028	0.0162	0.0162
Brugia malayi	Pao retrotransposon peptidase family protein	0.0028	0.0162	0.0619
Echinococcus multilocularis	RNA directed DNA polymerase	0.0028	0.0162	0.0619
Leishmania major	ribonuclease H1, putative	0.033	0.2618	0.5
Schistosoma mansoni	scy1(yeast) protein kinase-like	0.0028	0.0162	0.0162
Echinococcus multilocularis	transient receptor potential cation channel	0.0008	0.000000016372	0.000000062531
Trypanosoma brucei	RNA helicase, putative	0.1238	1	1
Brugia malayi	hypothetical protein	0.0028	0.0162	0.0619
Brugia malayi	reverse transcriptase	0.0028	0.0162	0.0619
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.033	0.2618	0.5
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0358	0.2846	0.2728
Trypanosoma brucei	ingi protein (ORF1)	0.0358	0.2846	0.2728
Schistosoma mansoni	hypothetical protein	0.0028	0.0162	0.0162
Brugia malayi	RNase H family protein	0.033	0.2618	1
Schistosoma mansoni	phosphoglucomutase	0.033	0.2618	0.2618
Brugia malayi	Pao retrotransposon peptidase family protein	0.0028	0.0162	0.0619
Brugia malayi	Pao retrotransposon peptidase family protein	0.0028	0.0162	0.0619
Trypanosoma cruzi	ribonuclease H1, putative	0.033	0.2618	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0028	0.0162	0.0619
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0028	0.0162	0.0619
Brugia malayi	Pao retrotransposon peptidase family protein	0.0028	0.0162	0.0619
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0028	0.0162	0.0619
Schistosoma mansoni	serine/threonine protein kinase	0.0028	0.0162	0.0162
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0028	0.0162	0.0619
Brugia malayi	Pao retrotransposon peptidase family protein	0.0028	0.0162	0.0619
Echinococcus multilocularis	transient receptor potential cation channel	0.0008	0.000000016372	0.000000062531
Brugia malayi	reverse transcriptase	0.0028	0.0162	0.0619
Brugia malayi	Pao retrotransposon peptidase family protein	0.0028	0.0162	0.0619
Trypanosoma brucei	unspecified product	0.0358	0.2846	0.2728
Brugia malayi	Pao retrotransposon peptidase family protein	0.0028	0.0162	0.0619
Echinococcus multilocularis	ribonuclease H1	0.033	0.2618	1
Schistosoma mansoni	phosphoglucomutase	0.033	0.2618	0.2618
Brugia malayi	reverse transcriptase	0.0028	0.0162	0.0619
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0028	0.0162	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0008	0.000000016372	0.5
Giardia lamblia	Ribonuclease H	0.033	0.2618	1
Brugia malayi	Zinc knuckle family protein	0.0028	0.0162	0.0619
Brugia malayi	hypothetical protein	0.0028	0.0162	0.0619
Trypanosoma brucei	ingi protein (ORF1)	0.0358	0.2846	0.2728
Echinococcus granulosus	ribonuclease H1	0.033	0.2618	1
Trypanosoma brucei	hypothetical protein, conserved	0.0358	0.2846	0.2728
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0028	0.0162	0.0619
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0028	0.0162	0.0619
Brugia malayi	Pao retrotransposon peptidase family protein	0.0028	0.0162	0.0619
Brugia malayi	hypothetical protein	0.0028	0.0162	0.0619
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0028	0.0162	0.0619
Brugia malayi	RNase H family protein	0.033	0.2618	1
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0028	0.0162	0.0619

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 87 nM	Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1	ChEMBL.	16759115
IC50 (functional)	= 87 nM	Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1	ChEMBL.	16759115
IC50 (functional)	= 136 nM	Antagonist activity in capsaicin-induced FLIPR assays in HEK293 cells expressing human TRPV1	ChEMBL.	15664844
IC50 (functional)	= 136 nM	Antagonist activity in capsaicin-induced FLIPR assays in HEK293 cells expressing human TRPV1	ChEMBL.	15664844
IC50 (functional)	= 310 nM	Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5	ChEMBL.	16759115
IC50 (functional)	= 310 nM	Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5	ChEMBL.	16759115
IC50 (functional)	= 1688 nM	Antagonist activity in pH 5.5-induced FLIPR assays in HEK293 cells expressing human TRPV1	ChEMBL.	15664844
IC50 (functional)	= 1688 nM	Antagonist activity in pH 5.5-induced FLIPR assays in HEK293 cells expressing human TRPV1	ChEMBL.	15664844

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: CHEMBL359880
PubChem: 11682182

Bibliographic References

2 literature references were 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 319261