Detailed information for compound 149605

Basic information

Technical information
  • TDR Targets ID: 149605
  • Name: 3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl] -4-methyl-5-phenyl-1H-imidazol-2-one
  • MW: 377.479 | Formula: C23H27N3O2
  • H donors: 1 H acceptors: 2 LogP: 4.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CN1CCC(CC1)n1c(O)nc(c1C)c1ccccc1
  • InChi: 1S/C23H27N3O2/c1-17-22(19-8-4-3-5-9-19)24-23(27)26(17)20-11-13-25(14-12-20)16-18-7-6-10-21(15-18)28-2/h3-10,15,20H,11-14,16H2,1-2H3,(H,24,27)
  • InChiKey: SVAAEZGFWVDPDN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[1-[(3-methoxyphenyl)methyl]-4-piperidyl]-4-methyl-5-phenyl-1H-imidazol-2-one
  • 3-[1-[(3-methoxyphenyl)methyl]-4-piperidinyl]-4-methyl-5-phenyl-1H-imidazol-2-one
  • 1-(1-m-anisyl-4-piperidyl)-5-methyl-4-phenyl-4-imidazolin-2-one
  • 1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-methyl-4-phenyl-3H-imidazol-2-one
  • 1-[1-[(3-methoxyphenyl)methyl]-4-piperidyl]-5-methyl-4-phenyl-3H-imidazol-2-one
  • 1-[1-[(3-methoxyphenyl)methyl]-4-piperidinyl]-5-methyl-4-phenyl-3H-imidazol-2-one
  • 1-[1-(3-methoxybenzyl)-4-piperidyl]-5-methyl-4-phenyl-3H-imidazol-2-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dopamine receptor D4 Starlite/ChEMBL References
Homo sapiens dopamine receptor D3 Starlite/ChEMBL References
Homo sapiens dopamine receptor D2 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi hypothetical protein dopamine receptor D3 400 aa 392 aa 19.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi cell division control protein 2 homolog 0.0018 0.026 0.0338
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0018 0.026 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4459 0.4459
Echinococcus granulosus cyclin dependent kinase 0.0018 0.026 0.026
Brugia malayi WGR domain containing protein 0.0038 0.2135 0.2776
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.4459 0.5795
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0027 0.113 0.1468
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0038 0.2135 0.2135
Schistosoma mansoni hypothetical protein 0.0031 0.1462 0.1462
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.4809 0.6251
Trypanosoma cruzi cdc2-related kinase 3 0.0018 0.026 0.1217
Toxoplasma gondii MA3 domain-containing protein 0.0123 1 1
Echinococcus granulosus poly adp ribose polymerase 2 0.0038 0.2135 0.2135
Echinococcus granulosus cyclin dependent kinase 1 0.0018 0.026 0.026
Trypanosoma brucei poly(adp-ribose) polymerase 0.0038 0.2135 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.1462 0.1462
Trichomonas vaginalis CMGC family protein kinase 0.0018 0.026 0.5
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0038 0.2135 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.1462 0.1462
Schistosoma mansoni programmed cell death protein 0.0123 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.7694 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0018 0.026 0.0338
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.4459 0.5795
Echinococcus granulosus GPCR family 2 0.0031 0.1462 0.1462
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.026 0.026
Echinococcus multilocularis cyclin dependent kinase 0.0018 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0018 0.0224 0.0292
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.1462 0.1462
Echinococcus granulosus cyclin dependent kinase 5 0.0018 0.026 0.026
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0018 0.026 0.0338
Trypanosoma cruzi cdc2-related kinase 3 0.0018 0.026 0.1217
Trypanosoma cruzi cdc2-related kinase 1 0.0018 0.026 0.1217
Echinococcus multilocularis cyclin dependent kinase 1 0.0018 0.026 0.026
Echinococcus multilocularis GPCR, family 2 0.0031 0.1462 0.1462
Brugia malayi RNA binding protein 0.0063 0.4459 0.5795
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.7694 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0 0.5
Brugia malayi Latrophilin receptor protein 2 0.0031 0.1462 0.19
Loa Loa (eye worm) TAR-binding protein 0.0063 0.4459 0.5795
Brugia malayi Protein kinase domain containing protein 0.0018 0.026 0.0338
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.026 0.026
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0018 0.026 1
Echinococcus granulosus WGR domain containing protein 0.0022 0.0589 0.0589
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.1462 0.19
Echinococcus granulosus tar DNA binding protein 0.0063 0.4459 0.4459
Plasmodium vivax protein kinase Crk2 0.0018 0.026 0.026
Loa Loa (eye worm) RNA binding protein 0.0063 0.4459 0.5795
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0033 0.1655 0.1655
Loa Loa (eye worm) hypothetical protein 0.0053 0.3507 0.4558
Echinococcus granulosus poly ADP ribose polymerase 1 0.007 0.5053 0.5053
Loa Loa (eye worm) hypothetical protein 0.0038 0.2135 0.2776
Schistosoma mansoni hypothetical protein 0.0067 0.4809 0.4809
Echinococcus multilocularis programmed cell death protein 4 0.0123 1 1
Schistosoma mansoni programmed cell death protein 0.0123 1 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.7694 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0018 0.026 0.026
Plasmodium falciparum protein kinase 5 0.0018 0.026 0.026
Echinococcus multilocularis cyclin dependent kinase 1 0.0018 0.026 0.026
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.1462 0.19
Trypanosoma brucei cdc2-related kinase 1 0.0018 0.026 0.1217
Trypanosoma brucei cdc2-related kinase 3 0.0018 0.026 0.1217
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0038 0.2135 0.2135
Brugia malayi WGR domain containing protein 0.007 0.5053 0.6568
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.007 0.5053 1
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0038 0.2135 1
Giardia lamblia Kinase, CMGC CDK 0.0018 0.026 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4459 0.4459
Schistosoma mansoni hypothetical protein 0.0031 0.1462 0.1462
Schistosoma mansoni hypothetical protein 0.0031 0.1462 0.1462
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0123 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0018 0.026 0.5
Trypanosoma cruzi cdc2-related kinase 1 0.0018 0.026 0.1217
Trichomonas vaginalis CMGC family protein kinase 0.0018 0.026 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.1462 0.19
Plasmodium vivax hypothetical protein, conserved 0.0123 1 1
Echinococcus granulosus poly (ADP ribose) polymerase 0.0022 0.0589 0.0589
Schistosoma mansoni poly [ADP-ribose] polymerase 0.007 0.5053 0.5053
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0072 0.5307 0.5307
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4459 0.4459
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0018 0.026 0.026
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.7694 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4459 0.4459
Schistosoma mansoni hypothetical protein 0.0031 0.1462 0.1462
Echinococcus multilocularis tar DNA binding protein 0.0063 0.4459 0.4459
Brugia malayi TAR-binding protein 0.0063 0.4459 0.5795
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0018 0.026 0.026
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4459 0.4459
Giardia lamblia Kinase, CMGC CDK 0.0018 0.026 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.4809 0.6251
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.007 0.5053 0.5053
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0018 0.026 0.0338
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0016 0.0064 0.0064
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.1462 0.1462

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 22 % Inhibition of [3H]- diltiazem binding to voltage-gated calcium channel of rabbit skeletal muscle at 10 uM ChEMBL. 10411491
Ki (binding) = 0.64 nM Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines ChEMBL. 10411491
Ki (binding) = 0.64 nM Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines ChEMBL. 10411491
Ki (binding) = 900 nM Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D2 stably expressed in CHO cell lines ChEMBL. 10411491
Ki (binding) = 900 nM Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D2 stably expressed in CHO cell lines ChEMBL. 10411491
Ki (binding) > 3900 nM Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D3 (hD3) stably expressed in HEK-393 cell lines ChEMBL. 10411491
Ki (binding) > 3900 nM Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D3 (hD3) stably expressed in HEK-393 cell lines ChEMBL. 10411491

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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