Detailed information for compound 415226

Basic information

Technical information
  • TDR Targets ID: 415226
  • Name: 4-cyclohexyl-1-[1-[(3-methylphenyl)methyl]pip eridin-4-yl]-4-phenylimidazolidin-2-one
  • MW: 431.613 | Formula: C28H37N3O
  • H donors: 1 H acceptors: 1 LogP: 5.5 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)CN1CCC(CC1)N1CC(NC1=O)(C1CCCCC1)c1ccccc1
  • InChi: 1S/C28H37N3O/c1-22-9-8-10-23(19-22)20-30-17-15-26(16-18-30)31-21-28(29-27(31)32,24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2,4-5,8-12,19,25-26H,3,6-7,13-18,20-21H2,1H3,(H,29,32)
  • InChiKey: MRELIADAHWJAPD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-cyclohexyl-1-[1-(m-tolylmethyl)-4-piperidyl]-4-phenyl-imidazolidin-2-one
  • 4-cyclohexyl-1-[1-(m-tolylmethyl)-4-piperidinyl]-4-phenyl-2-imidazolidinone
  • 4-cyclohexyl-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-phenyl-imidazolidin-2-one
  • 4-cyclohexyl-1-[1-(3-methylbenzyl)-4-piperidyl]-4-phenyl-2-imidazolidinone
  • 4-cyclohexyl-1-[1-[(3-methylphenyl)methyl]-4-piperidyl]-4-phenyl-imidazolidin-2-one
  • 4-cyclohexyl-1-[1-[(3-methylphenyl)methyl]-4-piperidinyl]-4-phenyl-2-imidazolidinone
  • 4-cyclohexyl-1-[1-(3-methylbenzyl)-4-piperidyl]-4-phenyl-imidazolidin-2-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cholinergic receptor, muscarinic 3 Starlite/ChEMBL References
Homo sapiens cholinergic receptor, muscarinic 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133264 All targets in OG5_133264
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133264 All targets in OG5_133264
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 0.0031 0.0115 0.033
Onchocerca volvulus 0.0031 0.0115 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.142 1 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.142 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.0392 0.028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.004 0.0175 0.0061
Entamoeba histolytica DNA repair and recombination protein, putative 0.142 1 0.5
Brugia malayi beta-lactamase 0.0031 0.0115 0.6326
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.004 0.0175 0.0175
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.0392 0.0392
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0031 0.0115 0.0001
Onchocerca volvulus 0.0031 0.0115 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.142 1 1
Onchocerca volvulus 0.0031 0.0115 1
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0392 0.0281
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.004 0.0175 0.0061
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0031 0.0115 0.033
Loa Loa (eye worm) hypothetical protein 0.0031 0.0115 0.033
Echinococcus multilocularis lamin 0.0031 0.0115 0.0115
Echinococcus multilocularis beta LACTamase domain containing family member 0.0031 0.0115 0.0115
Echinococcus multilocularis musashi 0.0031 0.0115 0.0115
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.142 1 1
Mycobacterium leprae Probable lipase LipE 0.0031 0.0115 0.5
Loa Loa (eye worm) hypothetical protein 0.0506 0.3492 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.004 0.0175 0.0175
Loa Loa (eye worm) hypothetical protein 0.0031 0.0115 0.033
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.004 0.0175 0.0175
Brugia malayi beta-lactamase family protein 0.0031 0.0115 0.6326
Mycobacterium tuberculosis Possible penicillin-binding protein 0.02 0.1313 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.004 0.0175 0.0175
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.0392 0.2312
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0392 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0012 0.0034
Schistosoma mansoni hypothetical protein 0.142 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0115 0.033
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0115 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0031 0.0115 0.0115
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0031 0.0115 0.6326
Echinococcus multilocularis lamin dm0 0.0031 0.0115 0.0115
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0031 0.0115 0.0001
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.0392 0.0392
Loa Loa (eye worm) beta-lactamase 0.0031 0.0115 0.033
Echinococcus granulosus lamin 0.0031 0.0115 0.0115
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0392 0.0281
Loa Loa (eye worm) hypothetical protein 0.0031 0.0111 0.0317
Loa Loa (eye worm) hypothetical protein 0.0031 0.0115 0.033
Loa Loa (eye worm) hypothetical protein 0.0031 0.0115 0.0328
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0703 0.4899 0.4899
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.142 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0115 0.0328
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.142 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0392 1
Trichomonas vaginalis conserved hypothetical protein 0.142 1 1
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0115 0.0328
Mycobacterium leprae conserved hypothetical protein 0.0031 0.0115 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.0392 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0115 0.033
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0115 0.6293
Brugia malayi intermediate filament protein 0.0031 0.0115 0.6293
Brugia malayi beta-lactamase family protein 0.0031 0.0115 0.6326
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.004 0.0175 0.0061
Entamoeba histolytica hypothetical protein, conserved 0.142 1 0.5
Giardia lamblia Rrm3p helicase 0.142 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0506 0.3492 1
Echinococcus granulosus lamin dm0 0.0031 0.0115 0.0115
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.004 0.0175 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.142 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.004 0.0175 0.0502
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.142 1 1
Echinococcus granulosus intermediate filament protein 0.0031 0.0115 0.0115
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0392 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 4.54 nM Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells ChEMBL. 17352462
Ki (binding) = 166 nM Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHO K1 cells ChEMBL. 17352462
Ratio Ki (binding) = 37 Selectivity ratio of human muscarinic M3 receptor over human muscarinic M2 receptor ChEMBL. 17352462

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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