Detailed information for compound 558264

Basic information

Technical information
  • TDR Targets ID: 558264
  • Name: 3-(chloromethyl)pyridine hydrochloride
  • MW: 164.032 | Formula: C6H7Cl2N
  • H donors: 0 H acceptors: 1 LogP: 2.04 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCc1cccnc1.Cl
  • InChi: 1S/C6H6ClN.ClH/c7-4-6-2-1-3-8-5-6;/h1-3,5H,4H2;1H
  • InChiKey: UZGLOGCJCWBBIV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(chloromethyl)pyridine
  • 6959-48-4
  • 3099-31-8
  • 25262_FLUKA
  • NSC66482
  • P43602_ALDRICH
  • 3-(Chloromethyl)pyridine.HCl
  • 3-(Chloromethyl)pyridine, hydrochloride
  • WLN: T6NJ C1G &GH
  • ST5307981
  • 3-Picolyl chloride hydrochloride
  • 3-(Chloromethyl) pyridine, hydrochloride
  • 3-(Chloromethyl)pyridinium chloride
  • 3-Chloromethylpyridine hydrochloride
  • 3-Pyridylmethyl chloride hydrochloride
  • CCRIS 140
  • EINECS 230-150-4
  • HSDB 4121
  • NCI-C03838
  • NSC 66482
  • Pyridine, 3-(chloromethyl)-, hydrochloride
  • Pyridine, 3-chloromethyl-, hydrochloride

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 tar DNA binding protein 0.0132 0.6954 0.6954
Echinococcus multilocularis geminin 0.0179 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0027 0 0.5
Brugia malayi TAR-binding protein 0.0132 0.6954 1
Schistosoma mansoni tar DNA-binding protein 0.0132 0.6954 0.6954
Schistosoma mansoni tar DNA-binding protein 0.0132 0.6954 0.6954
Treponema pallidum ATP-dependent RNA helicase 0.0027 0 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0027 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.467 0.467
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.467 0.6716
Plasmodium vivax RNA helicase-1, putative 0.0027 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1703 0.2449
Brugia malayi RNA recognition motif domain containing protein 0.0132 0.6954 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.1703 0.2449
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.467 0.467
Loa Loa (eye worm) RNA binding protein 0.0132 0.6954 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.467 0.467
Loa Loa (eye worm) hypothetical protein 0.0036 0.0609 0.0875
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0609 0.0875
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0027 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0132 0.6954 0.6954
Schistosoma mansoni tar DNA-binding protein 0.0132 0.6954 0.6954
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1703 0.2449
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0027 0 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.0609 0.0609
Leishmania major eukaryotic initiation factor 4a, putative 0.0027 0 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0027 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.467 0.467
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0132 0.6954 1
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0027 0 0.5
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0027 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0132 0.6954 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.467 0.467
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.467 0.6716
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1703 0.2449
Leishmania major eukaryotic initiation factor 4a, putative 0.0027 0 0.5
Schistosoma mansoni hypothetical protein 0.0179 1 1
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0027 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0132 0.6954 0.6954
Schistosoma mansoni hypothetical protein 0.0179 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.467 0.467
Plasmodium falciparum eukaryotic initiation factor 4A 0.0027 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.467 0.467
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0027 0 0.5
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0027 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0132 0.6954 0.6954
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0027 0 0.5
Brugia malayi RNA binding protein 0.0132 0.6954 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 27.306 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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