Detailed information for compound 1457856

Basic information

Technical information
  • TDR Targets ID: 1457856
  • Name: 2-[(6-chloropyridin-3-yl)methoxy]-4,6-dimethy lpyridine-3-carbonitrile
  • MW: 273.718 | Formula: C14H12ClN3O
  • H donors: 0 H acceptors: 3 LogP: 3.03 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(C)cc(nc1OCc1ccc(nc1)Cl)C
  • InChi: 1S/C14H12ClN3O/c1-9-5-10(2)18-14(12(9)6-16)19-8-11-3-4-13(15)17-7-11/h3-5,7H,8H2,1-2H3
  • InChiKey: AZZPLMPBJNPAJJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[(6-chloro-3-pyridyl)methoxy]-4,6-dimethyl-pyridine-3-carbonitrile
  • 2-[(6-chloro-3-pyridyl)methoxy]-4,6-dimethyl-3-pyridinecarbonitrile
  • 2-[(6-chloro-3-pyridyl)methoxy]-4,6-dimethyl-nicotinonitrile
  • 2-[(6-chloropyridin-3-yl)methoxy]-4,6-dimethyl-pyridine-3-carbonitrile
  • 3X-0856
  • ZINC01387139

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No 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

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Entamoeba histolytica cell division protein kinase 2, putative 0.0284 0.6246 0.5
Brugia malayi Protein kinase domain containing protein 0.0284 0.6246 0.6246
Brugia malayi cell division control protein 2 homolog 0.0284 0.6246 0.6246
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0284 0.6246 1
Trypanosoma cruzi cdc2-related kinase 1 0.0284 0.6246 1
Trichomonas vaginalis CMGC family protein kinase 0.0437 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0284 0.6246 0.6246
Loa Loa (eye worm) CDC7 protein kinase 0.0437 1 1
Trypanosoma cruzi cdc2-related kinase 1 0.0284 0.6246 1
Plasmodium falciparum protein kinase 5 0.0284 0.6246 1
Giardia lamblia Kinase, CDC7 0.0437 1 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0284 0.6246 0.5
Plasmodium vivax protein kinase Crk2 0.0284 0.6246 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0284 0.6246 1
Trypanosoma brucei cdc2-related kinase 3 0.0284 0.6246 1
Onchocerca volvulus 0.0437 1 0.5
Echinococcus granulosus CDC7 cell division cycle 7 0.0437 1 1
Trypanosoma cruzi cdc2-related kinase 3 0.0284 0.6246 1
Echinococcus multilocularis CDC7 cell division cycle 7 0.0437 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0437 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0437 1 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0284 0.6246 0.6246
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0284 0.6246 1
Loa Loa (eye worm) hypothetical protein 0.0278 0.6086 0.6086
Onchocerca volvulus 0.0437 1 0.5
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0284 0.6246 0.6246
Trypanosoma cruzi cdc2-related kinase 3 0.0284 0.6246 1
Schistosoma mansoni serine/threonine protein kinase 0.0437 1 1
Trypanosoma brucei cdc2-related kinase 1 0.0284 0.6246 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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