Detailed information for compound 824545

Basic information

Technical information
  • TDR Targets ID: 824545
  • Name: 2-(3-cyclohexyl-2,5-dioxo-1-phenylimidazolidi n-4-yl)-N-(4-ethoxyphenyl)acetamide
  • MW: 435.515 | Formula: C25H29N3O4
  • H donors: 1 H acceptors: 3 LogP: 3.87 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=O)CC1N(C2CCCCC2)C(=O)N(C1=O)c1ccccc1
  • InChi: 1S/C25H29N3O4/c1-2-32-21-15-13-18(14-16-21)26-23(29)17-22-24(30)28(20-11-7-4-8-12-20)25(31)27(22)19-9-5-3-6-10-19/h4,7-8,11-16,19,22H,2-3,5-6,9-10,17H2,1H3,(H,26,29)
  • InChiKey: DTPOOKKZVMRNLJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3-cyclohexyl-2,5-dioxo-1-phenyl-imidazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide
  • 2-(3-cyclohexyl-2,5-dioxo-1-phenyl-4-imidazolidinyl)-N-(4-ethoxyphenyl)acetamide
  • 2-(3-cyclohexyl-2,5-diketo-1-phenyl-imidazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide
  • 2-(3-cyclohexyl-2,5-dioxo-1-phenyl-imidazolidin-4-yl)-N-(4-ethoxyphenyl)ethanamide
  • C636-2235
  • NCGC00111062-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens galactosylceramidase No 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
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0459 0.5331 1
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0173 0.1343 0.1329
Echinococcus multilocularis protein arginine N methyltransferase 8 0.011 0.0476 0.3127
Trichomonas vaginalis DNA topoisomerase II, putative 0.0186 0.1522 1
Schistosoma mansoni protein arginine N-methyltransferase 1 0.011 0.0476 0.3127
Loa Loa (eye worm) TOPoisomerase family member 0.0186 0.1522 1
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0173 0.1343 0.1329
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0273 0.2746 0.5
Giardia lamblia DNA topoisomerase II 0.0161 0.1175 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.0458 0.3011
Leishmania major DNA topoisomerase ii 0.0129 0.0732 0.0526
Toxoplasma gondii DNA topoisomerase 2, putative 0.0186 0.1522 0.2155
Leishmania major mitochondrial DNA topoisomerase II 0.0459 0.5331 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0186 0.1522 1
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0173 0.1343 0.1329
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0186 0.1522 0.5
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0186 0.1522 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0186 0.1522 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0186 0.1522 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0459 0.5331 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.1343 0.8821
Echinococcus granulosus protein arginine methyltransferase 0.011 0.0476 0.3127
Schistosoma mansoni DNA topoisomerase II 0.0186 0.1522 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0794 1 1
Mycobacterium ulcerans DNA gyrase subunit B 0.0794 1 0.5
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0459 0.5331 1
Plasmodium falciparum DNA gyrase subunit B 0.0794 1 1
Brugia malayi hypothetical protein 0.0173 0.1343 0.8821
Schistosoma mansoni protein arginine N-methyltransferase 1 0.011 0.0476 0.3127
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0794 1 0.5
Echinococcus granulosus histone h3 methyltransferase 0.0109 0.0458 0.3011
Plasmodium falciparum DNA topoisomerase 2 0.0186 0.1522 0.1099
Echinococcus granulosus protein arginine N methyltransferase 8 0.011 0.0476 0.3127
Plasmodium vivax DNA topoisomerase II, putative 0.0186 0.1522 0.1099
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0186 0.1522 0.5
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0794 1 0.5
Schistosoma mansoni protein arginine N-methyltransferase 1 0.011 0.0476 0.3127
Loa Loa (eye worm) hypothetical protein 0.0129 0.0732 0.4805
Brugia malayi Probable DNA topoisomerase II 0.0186 0.1522 1
Echinococcus multilocularis histone h3 methyltransferase 0.0109 0.0458 0.3011
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0794 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0129 0.0732 0.4805
Schistosoma mansoni histone J3 methyltransferase 0.0109 0.0458 0.3011
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0186 0.1522 0.5
Echinococcus multilocularis protein arginine methyltransferase 0.011 0.0476 0.3127
Brugia malayi Histone-lysine N-methyltransferase, H3 lysine-79 specific 0.0109 0.0458 0.3011
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0186 0.1522 1
Trypanosoma brucei DNA topoisomerase ii 0.0459 0.5331 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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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