Detailed information for compound 1506881

Basic information

Technical information
  • TDR Targets ID: 1506881
  • Name: 3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-pro pylimidazol-2-yl)pyridin-2-amine
  • MW: 361.268 | Formula: C18H18Cl2N4
  • H donors: 1 H acceptors: 2 LogP: 4.96 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1cc(nc1c1cnc(c(c1)Cl)Nc1ccc(cc1)Cl)C
  • InChi: 1S/C18H18Cl2N4/c1-3-8-24-11-12(2)22-18(24)13-9-16(20)17(21-10-13)23-15-6-4-14(19)5-7-15/h4-7,9-11H,3,8H2,1-2H3,(H,21,23)
  • InChiKey: DGGVSYPBSIIZRQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propyl-imidazol-2-yl)pyridin-2-amine
  • 3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propyl-2-imidazolyl)-2-pyridinamine
  • [3-chloro-5-(4-methyl-1-propyl-imidazol-2-yl)-2-pyridyl]-(4-chlorophenyl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutamate receptor, metabotropic 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Metabotropic glutamate receptor precursor. Get druggable targets OG5_127095 All targets in OG5_127095
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus granulosus metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus multilocularis metabotropic glutamate receptor 2 Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum Metabotropic glutamate receptor precursor, putative Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus granulosus metabotropic glutamate receptor 2 Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus multilocularis metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma mansoni metabotropic glutamate receptor Get druggable targets OG5_127095 All targets in OG5_127095
Loa Loa (eye worm) glutamate receptor Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum ko:K04606 glutamate receptor, metabotropic 3, putative Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) Get druggable targets OG5_127095 All targets in OG5_127095
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095

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
Onchocerca volvulus Phospholipase A2 homolog 0.0089 0.0961 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0041 0.0013 0.0025
Brugia malayi photoreceptor-specific nuclear receptor 0.0043 0.0047 0.0047
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0043 0.0047 0.0088
Schistosoma mansoni metabotropic glutamate receptor 0.0041 0.0013 0.0025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0043 0.0047 0.0049
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0043 0.0047 0.0104
Echinococcus multilocularis metabotropic glutamate receptor 5 0.006 0.0394 0.0743
Echinococcus multilocularis thyroid hormone receptor alpha 0.0308 0.5302 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0043 0.0047 0.0104
Brugia malayi Metabotropic glutamate receptor precursor. 0.0049 0.017 0.017
Brugia malayi Phospholipase A2 family protein 0.0089 0.0961 0.0961
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.0049
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0043 0.0047 0.0049
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0043 0.0047 0.0049
Brugia malayi ecdysteroid receptor 0.0043 0.0047 0.0047
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0043 0.0047 0.0104
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.0049
Schistosoma mansoni thyroid hormone receptor 0.0308 0.5302 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0041 0.0013 0.003
Schistosoma mansoni retinoic acid receptor RXR 0.0043 0.0047 0.0088
Brugia malayi Steroid receptor seven-up type 2 0.0043 0.0047 0.0047
Onchocerca volvulus Bile acid receptor homolog 0.0043 0.0047 0.0485
Brugia malayi steroid hormone receptor 0.0043 0.0047 0.0047
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0526 0.9602 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.0961 0.1001
Onchocerca volvulus Phospholipase A2 homolog 0.0089 0.0961 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.006 0.0394 0.0883
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0043 0.0047 0.0088
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0044 0.0079 0.0079
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0043 0.0047 0.0088
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0043 0.0047 0.0047
Brugia malayi Nuclear hormone receptor-like 1 0.0526 0.9602 0.9602
Schistosoma mansoni hypothetical protein 0.0266 0.4458 0.8409
Echinococcus granulosus FTZ F1 alpha 0.0043 0.0047 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0043 0.0047 0.0047
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0043 0.0047 0.0047
Onchocerca volvulus 0.0043 0.0047 0.0485
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0043 0.0047 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0043 0.0047 0.0047
Schistosoma mansoni coup transcription factor 0.0043 0.0047 0.0088
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.0049
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0043 0.0047 0.0104
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.0049
Loa Loa (eye worm) hypothetical protein 0.0089 0.0961 0.1001
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0043 0.0047 0.0088
Schistosoma mansoni thyroid hormone receptor 0.0308 0.5302 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0394 0.041
Onchocerca volvulus Protein ultraspiracle homolog 0.0043 0.0047 0.0485
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.0049
Echinococcus multilocularis ecdysone induced protein 78C 0.0043 0.0047 0.0088
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0043 0.0047 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0043 0.0047 0.0047
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0043 0.0047 0.0104
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0043 0.0047 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0043 0.0047 0.0047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0043 0.0047 0.0049
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0266 0.4458 0.8409
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0043 0.0047 0.0049
Brugia malayi nuclear receptor NHR-88 0.0043 0.0047 0.0047
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0043 0.0047 0.0088
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0043 0.0047 0.0047
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0043 0.0047 0.0049
Brugia malayi nuclear hormone receptor 0.0043 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.0049
Echinococcus granulosus ecdysone induced protein 78C 0.0043 0.0047 0.0104
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0043 0.0047 0.0088
Schistosoma mansoni RAR-like nuclear receptor 0.0043 0.0047 0.0088
Schistosoma mansoni steroid hormone receptor ad4bp 0.0043 0.0047 0.0088
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0043 0.0047 0.0047
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0043 0.0047 0.0088
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0043 0.0047 0.0088
Loa Loa (eye worm) hypothetical protein 0.0523 0.9554 0.995
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0266 0.4458 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0043 0.0047 0.0088
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0043 0.0047 0.0049
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.0049
Echinococcus multilocularis FTZ F1 alpha 0.0043 0.0047 0.0088
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.0049
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0043 0.0047 0.0104
Schistosoma mansoni nuclear hormone receptor 0.0043 0.0047 0.0088
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0056 0.0303 0.0571
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0043 0.0047 0.0047
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0043 0.0047 0.0485
Brugia malayi Nuclear hormone receptor-like 1 0.0526 0.9602 0.9602
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0043 0.0047 0.0088
Loa Loa (eye worm) glutamate receptor 0.0049 0.017 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0043 0.0047 0.0047
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0043 0.0047 0.0088
Loa Loa (eye worm) steroid hormone receptor 0.0043 0.0047 0.0049
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0043 0.0047 0.0047
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0043 0.0047 0.0088

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.23 uM Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay ChEMBL. 24900255

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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