Detailed information for compound 280285

Basic information

Technical information
  • TDR Targets ID: 280285
  • Name: 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanon e
  • MW: 268.354 | Formula: C17H20N2O
  • H donors: 0 H acceptors: 2 LogP: 4.06 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)C1CCCCC1)Cn1cncc1
  • InChi: 1S/C17H20N2O/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-11,13-14H,1-5,12H2
  • InChiKey: YAEMCNDAIHEJGL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-cyclohexylphenyl)-2-imidazol-1-yl-ethanone
  • 1-(4-cyclohexylphenyl)-2-(1-imidazolyl)ethanone
  • 73931-84-7
  • Ethanone, 1-(4-cyclohexylphenyl)-2-(1H-imidazol-1-yl)-
  • 1-(4-Cyclohexylphenyl)-2-(1H-imidazol-1-yl)ethanone
  • BRN 5079851

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Brugia malayi intracellular kinase 0.0251 0.0517 1
Entamoeba histolytica protein kinase domain containing protein 0.0251 0.0517 1
Chlamydia trachomatis UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminoligase 0.047 0.2054 0.0612
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0251 0.0517 1
Mycobacterium tuberculosis Probable UDP-N-acetylmuramoylalanine-D-glutamate ligase MurD 0.0718 0.3798 0.2672
Trichomonas vaginalis CMGC family protein kinase 0.0251 0.0517 1
Plasmodium vivax glycogen synthase kinase 3, putative 0.0251 0.0517 1
Treponema pallidum UDP-N-acetylenolpyruvoylglucosamine reductase 0.1602 1 1
Mycobacterium ulcerans UDP-N-acetylmuramate--L-alanine ligase 0.0643 0.327 0.2049
Mycobacterium ulcerans UDP-N-acetylenolpyruvoylglucosamine reductase 0.1602 1 1
Echinococcus granulosus protein kinase shaggy 0.0251 0.0517 1
Mycobacterium ulcerans UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.047 0.2054 0.0612
Plasmodium falciparum glycogen synthase kinase 3 0.0251 0.0517 1
Mycobacterium ulcerans UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase 0.1115 0.6577 0.5956
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylenolpyruvoylglucosamine reductase 0.1602 1 1
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0251 0.0517 1
Chlamydia trachomatis bifunctional UDP-N-acetylmuramate-alanine ligase/D-alanine-D-alanine ligase 0.0643 0.327 0.2049
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramoylalanine-D-glutamate ligase 0.085 0.472 0.3762
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0251 0.0517 1
Onchocerca volvulus 0.0251 0.0517 0.5
Treponema pallidum UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase (murE) 0.047 0.2054 0.0612
Entamoeba histolytica protein kinase, putative 0.0251 0.0517 1
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0251 0.0517 1
Entamoeba histolytica protein kinase domain containing protein 0.0251 0.0517 1
Trichomonas vaginalis CMGC family protein kinase 0.0251 0.0517 1
Treponema pallidum UDP-N-acetylmuramoylalanine--D-glutamate ligase (murD) 0.1115 0.6577 0.5956
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0181 0.003 0.0584
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0251 0.0517 1
Giardia lamblia Kinase, CMGC GSK 0.0251 0.0517 1
Mycobacterium ulcerans UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase 0.047 0.2054 0.0612
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0181 0.003 0.0584
Giardia lamblia Kinase, CMGC GSK 0.0251 0.0517 1
Mycobacterium tuberculosis Probable UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.047 0.2054 0.0612
Mycobacterium leprae PROBABLE UDP-N-ACETYLENOLPYRUVOYLGLUCOSAMINE REDUCTASE MURB (UDP-N-ACETYLMURAMATE DEHYDROGENASE) 0.1602 1 1
Mycobacterium leprae ProbableUDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.047 0.2054 0.0612
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramyl pentapeptide synthase 0.047 0.2054 0.0612
Trypanosoma brucei protein kinase, putative 0.0251 0.0517 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramate-alanine ligase 0.0643 0.327 0.2049
Echinococcus multilocularis protein kinase shaggy 0.0251 0.0517 1
Mycobacterium leprae Probable UDP-N-acetylmuramoylalanine-D-glutamate ligase MurD 0.0718 0.3798 0.2672
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0251 0.0517 1
Mycobacterium tuberculosis Probable UDP-N-acetylenolpyruvoylglucosamine reductase MurB (UDP-N-acetylmuramate dehydrogenase) 0.1602 1 1
Treponema pallidum UDP-N-acetylmuramate--L-alanine ligase 0.0643 0.327 0.2049
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0251 0.0517 1
Treponema pallidum UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanine ligase (murF) 0.047 0.2054 0.0612
Chlamydia trachomatis UDP-N-acetylmuramoylalanine--D-glutamate ligase 0.1115 0.6577 0.5956
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0251 0.0517 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0181 0.003 0.0584

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 62.2 mg kg-1 Anticonvulsant activity by the maximal electroshock test in mice by intraperitoneal administration ChEMBL. 7252982
ED50 (functional) = 62.2 mg kg-1 Anticonvulsant activity by the maximal electroshock test in mice by intraperitoneal administration ChEMBL. 7252982
ED50 (functional) = 89.9 mg kg-1 Anticonvulsant activity was evaluated by the maximal electroshock test in mice,administered orally ChEMBL. 7252982
ED50 (functional) = 89.9 mg kg-1 Anticonvulsant activity was evaluated by the maximal electroshock test in mice,administered orally ChEMBL. 7252982
LD50 (ADMET) = 2100 mg kg-1 Lethal dose determined in mice after oral administration ChEMBL. 7252982
LD50 (ADMET) = 2100 mg kg-1 Lethal dose determined in mice after oral administration ChEMBL. 7252982
LD50 (ADMET) > 3000 mg kg-1 Lethal dose in mice determined after intraperitoneal administration. ChEMBL. 7252982
LD50 (ADMET) > 3000 mg kg-1 Lethal dose in mice determined after intraperitoneal administration. ChEMBL. 7252982

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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