Detailed information for compound 564078

Basic information

Technical information
  • TDR Targets ID: 564078
  • Name: 2-(chloromethyl)pyridine hydrochloride
  • MW: 164.032 | Formula: C6H7Cl2N
  • H donors: 0 H acceptors: 1 LogP: 2.08 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCc1ccccn1.Cl
  • InChi: 1S/C6H6ClN.ClH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H
  • InChiKey: JPMRGPPMXHGKRO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloromethylpyridine
  • 4377-33-7
  • 6959-47-3
  • 110656-58-1
  • 2-(Chloromethyl)pyridine, hydrochloride
  • 2-(Chloromethyl)pyridinium chloride
  • 2-Chloromethylpyridine hydrochloride
  • 2-Picolyl chloride hydrochloride
  • 2-Pyridylmethylchloride hydrochloride
  • AI3-52602
  • CCRIS 139
  • EINECS 230-149-9
  • HSDB 4120
  • NCI-C03907
  • NSC 66481
  • Picolyl chloride hydrochloride
  • Pyridine, 2-(chloromethyl)-, hydrochloride
  • Pyridine, 2-chloromethyl-, hydrochloride
  • 2-(Chloromethyl)pyridine.HCl
  • 25260_FLUKA
  • 162701_ALDRICH
  • 2-(Chloromethyl)pyridine HCl
  • NCGC00091692-01
  • NSC66481
  • WLN: T6NJ B1G &GH
  • 2-(Chloromethyl) pyridine, hydrochloride
  • 2-(chloromethyl)pyridin-1-ium chloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens jun proto-oncogene Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus Basic leucine zipper bZIP transcription factor Get druggable targets OG5_131442 All targets in OG5_131442
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus multilocularis jun protein Get druggable targets OG5_131442 All targets in OG5_131442
Brugia malayi bZIP transcription factor family protein Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus granulosus jun protein Get druggable targets OG5_131442 All targets in OG5_131442
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
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.1186 1
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0034 0.1186 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0343 0.5
Schistosoma mansoni hypothetical protein 0.018 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0748 0.1471
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0034 0.1186 1
Echinococcus granulosus lamin dm0 0.0027 0.0748 0.042
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.2069 0.3941
Echinococcus granulosus lamin 0.0027 0.0748 0.042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2069 0.1788
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0343 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0343 0.5
Echinococcus multilocularis geminin 0.018 1 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0748 0.042
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0034 0.1186 1
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.1186 1
Schistosoma mansoni lamin 0.0027 0.0748 0.042
Schistosoma mansoni jun-related protein 0.0082 0.4105 0.3896
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0748 0.1471
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.2069 0.1788
Schistosoma mansoni lamin 0.0027 0.0748 0.042
Loa Loa (eye worm) hypothetical protein 0.0027 0.0748 0.1471
Brugia malayi bZIP transcription factor family protein 0.0101 0.525 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0748 0.042
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.2069 0.1788
Loa Loa (eye worm) hepatopoietin HPO2 0.0034 0.1186 0.2334
Echinococcus multilocularis lamin 0.0027 0.0748 0.042
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0343 0.5
Loa Loa (eye worm) hypothetical protein 0.0099 0.5083 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.2069 0.1788
Onchocerca volvulus 0.008 0.3938 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0718 0.1413
Schistosoma mansoni hypothetical protein 0.018 1 1
Echinococcus multilocularis jun protein 0.0101 0.525 0.5082
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0343 0.0674
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0101 0.525 0.5082
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0101 0.525 0.5082
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.1186 1
Echinococcus multilocularis musashi 0.0027 0.0748 0.042
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0343 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0343 0.5
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.1186 1
Brugia malayi hypothetical protein 0.008 0.3938 0.75
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0034 0.1186 0.0873
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2069 0.1788
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0343 0.0653
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.2069 0.1788
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0034 0.1186 0.0873
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0343 0.5
Echinococcus granulosus jun protein 0.0101 0.525 0.5082
Leishmania major hypothetical protein, conserved 0.0034 0.1186 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.2069 0.4071
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0343 0.5
Brugia malayi intermediate filament protein 0.0027 0.0748 0.1424
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0034 0.1186 1
Schistosoma mansoni hypothetical protein 0.0082 0.4105 0.3896
Brugia malayi Augmenter of liver regeneration 0.0034 0.1186 0.2259
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0748 0.1424
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2069 0.1788
Echinococcus multilocularis lamin dm0 0.0027 0.0748 0.042

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4803 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 75.4742 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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