Detailed information for compound 1623295

Basic information

Technical information
  • TDR Targets ID: 1623295
  • Name: N-cyclohexyl-2-(3,4-dimethoxyphenyl)-6-methyl imidazo[3,2-a]pyridin-3-amine
  • MW: 365.469 | Formula: C22H27N3O2
  • H donors: 1 H acceptors: 1 LogP: 5.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)c1nc2n(c1NC1CCCCC1)cc(cc2)C
  • InChi: 1S/C22H27N3O2/c1-15-9-12-20-24-21(16-10-11-18(26-2)19(13-16)27-3)22(25(20)14-15)23-17-7-5-4-6-8-17/h9-14,17,23H,4-8H2,1-3H3
  • InChiKey: KMEYZQWIGFUXKD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cyclohexyl-2-(3,4-dimethoxyphenyl)-6-methyl-imidazo[3,2-a]pyridin-3-amine
  • N-cyclohexyl-2-(3,4-dimethoxyphenyl)-6-methyl-3-imidazo[3,2-a]pyridinamine
  • cyclohexyl-[2-(3,4-dimethoxyphenyl)-6-methyl-imidazo[3,2-a]pyridin-3-yl]amine
  • ZINC04720014

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 5-lipoxygenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
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 0.024 1 0.5
Onchocerca volvulus 0.024 1 0.5
Onchocerca volvulus 0.024 1 0.5
Echinococcus multilocularis subfamily M14A unassigned peptidase 0.024 1 1
Onchocerca volvulus Subfamily M14A unassigned peptidase homolog 0.024 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0199 0.7066 0.5
Onchocerca volvulus 0.024 1 0.5
Schistosoma mansoni lipoxygenase 0.0142 0.3052 0.3052
Schistosoma mansoni subfamily M14A unassigned peptidase (M14 family) 0.024 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.72 uM Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincubated for 15 mins measured after 10 mins by HPLC analysis ChEMBL. 22326163
IC50 (binding) = 1.3 uM Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincubated for 15 mins prior stimulation measured after 10 mins by HPLC analysis ChEMBL. 22326163

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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