Detailed information for compound 218124

Basic information

Technical information
  • TDR Targets ID: 218124
  • Name: 2-[[4-(3-chloropyridin-2-yl)piperazin-1-yl]me thyl]-1H-benzimidazole
  • MW: 327.811 | Formula: C17H18ClN5
  • H donors: 1 H acceptors: 2 LogP: 2.84 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccnc1N1CCN(CC1)Cc1nc2c([nH]1)cccc2
  • InChi: 1S/C17H18ClN5/c18-13-4-3-7-19-17(13)23-10-8-22(9-11-23)12-16-20-14-5-1-2-6-15(14)21-16/h1-7H,8-12H2,(H,20,21)
  • InChiKey: ZHVGRVGBTCLRGM-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[4-(3-chloro-2-pyridyl)piperazin-1-yl]methyl]-1H-benzimidazole
  • 2-[[4-(3-chloro-2-pyridyl)-1-piperazinyl]methyl]-1H-benzimidazole
  • 2-[[4-(3-chloro-2-pyridyl)piperazino]methyl]-1H-benzimidazole

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

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0048 0.0885 0.0885
Echinococcus granulosus acetylcholinesterase 0.0282 1 1
Onchocerca volvulus 0.0048 0.0885 0.5
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0048 0.0885 0.0885
Schistosoma mansoni neuroligin 3 (S09 family) 0.0048 0.0885 0.0885
Echinococcus multilocularis carboxylesterase 5A 0.0282 1 1
Loa Loa (eye worm) hypothetical protein 0.0282 1 1
Loa Loa (eye worm) hypothetical protein 0.0282 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0885 0.0885
Echinococcus granulosus acetylcholinesterase 0.0282 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0048 0.0885 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0048 0.0885 0.0885
Loa Loa (eye worm) hypothetical protein 0.0048 0.0885 0.0885
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0282 1 1
Brugia malayi hypothetical protein 0.0048 0.0885 0.0885
Schistosoma mansoni acetylcholinesterase 0.0048 0.0885 0.0885
Brugia malayi Carboxylesterase family protein 0.0048 0.0885 0.0885
Loa Loa (eye worm) hypothetical protein 0.0048 0.0885 0.0885
Schistosoma mansoni hypothetical protein 0.0181 0.6056 0.6056
Echinococcus multilocularis acetylcholinesterase 0.0282 1 1
Onchocerca volvulus 0.0048 0.0885 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0048 0.0885 0.0885
Schistosoma mansoni gliotactin 0.0048 0.0885 0.0885
Loa Loa (eye worm) acetylcholinesterase 1 0.0282 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0048 0.0885 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0048 0.0885 0.0885
Echinococcus multilocularis geminin 0.0181 0.6056 0.6056
Echinococcus granulosus BC026374 protein S09 family 0.0048 0.0885 0.0885
Loa Loa (eye worm) hypothetical protein 0.0048 0.0885 0.0885
Onchocerca volvulus 0.0048 0.0885 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.0048 0.0885 0.0885
Brugia malayi Carboxylesterase family protein 0.0282 1 1
Brugia malayi Carboxylesterase family protein 0.0048 0.0885 0.0885
Schistosoma mansoni hypothetical protein 0.0181 0.6056 0.6056
Loa Loa (eye worm) hypothetical protein 0.0048 0.0885 0.0885
Echinococcus granulosus para nitrobenzyl esterase 0.0048 0.0885 0.0885
Echinococcus granulosus neuroligin 0.0048 0.0885 0.0885
Mycobacterium tuberculosis Carboxylesterase LipT 0.0048 0.0885 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0048 0.0885 0.5
Brugia malayi Carboxylesterase family protein 0.0048 0.0885 0.0885
Loa Loa (eye worm) carboxylesterase 0.0048 0.0885 0.0885
Loa Loa (eye worm) hypothetical protein 0.0048 0.0885 0.0885
Echinococcus granulosus carboxylesterase 5A 0.0282 1 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0048 0.0885 0.0885
Echinococcus granulosus geminin 0.0181 0.6056 0.6056
Onchocerca volvulus 0.0048 0.0885 0.5
Loa Loa (eye worm) carboxylesterase 0.0048 0.0885 0.0885
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0048 0.0885 0.5
Schistosoma mansoni BC026374 protein (S09 family) 0.0048 0.0885 0.0885
Loa Loa (eye worm) hypothetical protein 0.0048 0.0885 0.0885
Brugia malayi Carboxylesterase family protein 0.0048 0.0885 0.0885
Echinococcus multilocularis acetylcholinesterase 0.0282 1 1
Echinococcus multilocularis neuroligin 0.0048 0.0885 0.0885
Trichomonas vaginalis spcc417.12 protein, putative 0.0048 0.0885 0.5
Loa Loa (eye worm) carboxylesterase 0.0282 1 1
Onchocerca volvulus 0.0048 0.0885 0.5

Activities

Activity type Activity value Assay description Source Reference
Efficacy (binding) 0 % In vitro efficacy tested on human D4.4 receptor were coexpressed with GRqo5 in HEK293 cells using FLIPR assay (Efficacy relative to 10 microM dopamine) ChEMBL. 15239663

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

Bibliographic References

1 literature reference was collected for this gene.

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