Detailed information for compound 417167

Basic information

Technical information
  • TDR Targets ID: 417167
  • Name: 2-[1-[2-(2-methylphenyl)phenoxy]ethyl]-4,5-di hydro-1H-imidazole
  • MW: 280.364 | Formula: C18H20N2O
  • H donors: 1 H acceptors: 0 LogP: 3.31 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C1=NCCN1)Oc1ccccc1c1ccccc1C
  • InChi: 1S/C18H20N2O/c1-13-7-3-4-8-15(13)16-9-5-6-10-17(16)21-14(2)18-19-11-12-20-18/h3-10,14H,11-12H2,1-2H3,(H,19,20)
  • InChiKey: PJHALOKEQHBBKK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[1-[2-(o-tolyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole
  • 2-[1-[2-(o-tolyl)phenoxy]ethyl]-2-imidazoline

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adrenoceptor alpha 2C Starlite/ChEMBL References
Homo sapiens adrenoceptor alpha 2A Starlite/ChEMBL References
Homo sapiens adrenoceptor alpha 2B Starlite/ChEMBL 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
Loa Loa (eye worm) hypothetical protein 0.0064 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0 0.5
Schistosoma mansoni hypothetical protein 0.0309 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0064 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0064 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0309 1 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0309 1 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0064 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0064 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0064 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0309 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0064 0 0.5
Brugia malayi steroid hormone receptor 0.0064 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0064 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0064 0 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0309 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0064 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0064 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0064 0 0.5
Brugia malayi nuclear receptor NHR-88 0.0064 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0064 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0064 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0064 0 0.5
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0309 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0064 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0064 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0064 0 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0309 1 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0064 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0064 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0064 0 0.5
Brugia malayi ecdysteroid receptor 0.0064 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0064 0 0.5
Entamoeba histolytica DNA repair and recombination protein, putative 0.0309 1 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0309 1 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0064 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0064 0 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0309 1 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0064 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0064 0 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0309 1 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0309 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0064 0 0.5
Giardia lamblia Rrm3p helicase 0.0309 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0064 0 0.5
Brugia malayi nuclear hormone receptor 0.0064 0 0.5
Onchocerca volvulus 0.0064 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Agonist activity at human adrenergic alpha2A receptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry ChEMBL. 15566287
Activity (functional) Agonist activity at human adrenergic alpha2B receptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry ChEMBL. 15566287
Activity (functional) 0 Agonist activity at human adrenergic alpha2B receptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry ChEMBL. 15566287
Activity (functional) 0 Agonist activity at human adrenergic alpha2A receptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry ChEMBL. 15566287
EC50 (functional) = -6.44 Agonist activity at human adrenergic alpha2C receptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry ChEMBL. 15566287
Intrinsic activity (functional) < 0.3 Agonist activity at human adrenergic alpha2B receptor expressed in CHO cells assessed as extracellular acidification relative to noradrenaline by cytosensor microphysiometry ChEMBL. 15566287
Intrinsic activity (functional) < 0.3 Agonist activity at human adrenergic alpha2A receptor expressed in CHO cells assessed as extracellular acidification relative to noradrenaline by cytosensor microphysiometry ChEMBL. 15566287
Intrinsic activity (functional) = 0.45 Agonist activity at human adrenergic alpha2C receptor expressed in CHO cells assessed as extracellular acidification relative to noradrenaline by cytosensor microphysiometry ChEMBL. 15566287
Intrinsic activity (functional) < 0.3 Agonist activity at human adrenergic alpha2B receptor expressed in CHO cells assessed as extracellular acidification relative to noradrenaline by cytosensor microphysiometry ChEMBL. 15566287
Intrinsic activity (functional) < 0.3 Agonist activity at human adrenergic alpha2A receptor expressed in CHO cells assessed as extracellular acidification relative to noradrenaline by cytosensor microphysiometry ChEMBL. 15566287
Intrinsic activity (functional) = 0.45 Agonist activity at human adrenergic alpha2C receptor expressed in CHO cells assessed as extracellular acidification relative to noradrenaline by cytosensor microphysiometry ChEMBL. 15566287
Ki (binding) = -7.33 Displacement of [3H]RX821002 from human adrenergic alpha2A receptor expressed in CHO cells ChEMBL. 15566287
Ki (binding) = -6.63 Displacement of [3H]RX821002 from human adrenergic alpha2C receptor expressed in CHO cells ChEMBL. 15566287
Ki (binding) = -6.08 Displacement of [3H]RX821002 from human adrenergic alpha2B receptor expressed in CHO cells ChEMBL. 15566287
Log EC50 (functional) = 6.44 Agonist activity at human adrenergic alpha2C receptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry ChEMBL. 15566287
Log Ki (binding) = 6.08 Displacement of [3H]RX821002 from human adrenergic alpha2B receptor expressed in CHO cells ChEMBL. 15566287
Log Ki (binding) = 6.63 Displacement of [3H]RX821002 from human adrenergic alpha2C receptor expressed in CHO cells ChEMBL. 15566287
Log Ki (binding) = 7.33 Displacement of [3H]RX821002 from human adrenergic alpha2A receptor expressed in CHO cells ChEMBL. 15566287

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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