Detailed information for compound 824698

Basic information

Technical information
  • TDR Targets ID: 824698
  • Name: 2-[3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoi midazolidin-4-yl]-N-(4-methoxyphenyl)acetamid e
  • MW: 435.515 | Formula: C25H29N3O4
  • H donors: 1 H acceptors: 3 LogP: 3.86 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)CC1N(C2CCCCC2)C(=O)N(C1=O)c1ccc(cc1)C
  • InChi: 1S/C25H29N3O4/c1-17-8-12-20(13-9-17)28-24(30)22(27(25(28)31)19-6-4-3-5-7-19)16-23(29)26-18-10-14-21(32-2)15-11-18/h8-15,19,22H,3-7,16H2,1-2H3,(H,26,29)
  • InChiKey: FYFDNYSCSZIGHP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxo-imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
  • 2-[3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxo-4-imidazolidinyl]-N-(4-methoxyphenyl)acetamide
  • 2-[3-cyclohexyl-2,5-diketo-1-(4-methylphenyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
  • 2-[3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxo-imidazolidin-4-yl]-N-(4-methoxyphenyl)ethanamide
  • C636-2466
  • NCGC00110828-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
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 Ceramide glucosyltransferase 0.4967 0.8936 0.8683
Echinococcus granulosus non lysosomal glucosylceramidase 0.4334 0.7295 0.7661
Trichomonas vaginalis glucosylceramidase, putative 0.5378 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.5378 1 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.5378 1 1
Echinococcus multilocularis non lysosomal glucosylceramidase 0.4334 0.7295 0.7661
Echinococcus granulosus bile acid beta glucosidase 0.4334 0.7295 0.7661
Echinococcus multilocularis ceramide glucosyltransferase 0.4967 0.8936 1
Schistosoma mansoni ceramide glucosyltransferase 0.4967 0.8936 1
Loa Loa (eye worm) ceramide glucosyltransferase 0.4967 0.8936 0.8683
Echinococcus multilocularis bile acid beta glucosidase 0.4334 0.7295 0.7661
Onchocerca volvulus Glucosylceramidase homolog 0.3528 0.5207 0.5827
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.4967 0.8936 1
Echinococcus granulosus ceramide glucosyltransferase 0.4967 0.8936 1
Schistosoma mansoni bile acid beta-glucosidase-related 0.4334 0.7295 0.7661
Schistosoma mansoni bile acid beta-glucosidase-related 0.4334 0.7295 0.7661
Trichomonas vaginalis glucosylceramidase, putative 0.5378 1 1
Giardia lamblia Ceramide glucosyltransferase 0.2252 0.1898 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.5378 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.5378 1 1
Loa Loa (eye worm) hypothetical protein 0.2926 0.3645 0.2132
Trichomonas vaginalis glucosylceramidase, putative 0.3718 0.5699 0.1027
Trichomonas vaginalis glucosylceramidase, putative 0.3718 0.5699 0.1027
Trichomonas vaginalis glucosylceramidase, putative 0.5378 1 1
Schistosoma mansoni ceramide glucosyltransferase 0.4967 0.8936 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.005 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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