Detailed information for compound 62676

Basic information

Technical information
  • TDR Targets ID: 62676
  • Name: 1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyri din-4-ylimidazolidin-2-one
  • MW: 480.397 | Formula: C25H26BrN3O2
  • H donors: 0 H acceptors: 2 LogP: 5.05 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)c1ccc(cc1)OCCCCCN1CCN(C1=O)c1ccncc1
  • InChi: 1S/C25H26BrN3O2/c26-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-28-17-18-29(25(28)30)23-12-14-27-15-13-23/h4-15H,1-3,16-19H2
  • InChiKey: KUQKJJNNDYBGQK-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-(4-pyridyl)imidazolidin-2-one
  • 1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-(4-pyridyl)-2-imidazolidinone
  • 1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyridin-4-yl-imidazolidin-2-one

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
Trypanosoma brucei unspecified product 0.0023 0.1159 0.1159
Brugia malayi RNase H family protein 0.0021 0.0878 0.6908
Trypanosoma brucei ingi protein (ORF1) 0.0023 0.1159 0.1159
Echinococcus granulosus N acetylgalactosamine kinase 0.0024 0.1271 0.2298
Mycobacterium tuberculosis Probable galactokinase GalK (galactose kinase) 0.0051 0.553 1
Trypanosoma cruzi galactokinase, putative 0.0045 0.4495 0.813
Trypanosoma cruzi galactokinase-like protein, putative 0.0045 0.4495 0.813
Brugia malayi RNase H family protein 0.0021 0.0878 0.6908
Echinococcus granulosus ribonuclease H1 0.0021 0.0878 0.1587
Brugia malayi galactokinase family protein 0.0024 0.1271 1
Trypanosoma cruzi ribonuclease H1, putative 0.0021 0.0878 0.1587
Leishmania major galactokinase-like protein 0.0051 0.553 1
Echinococcus granulosus galactokinase 0.0051 0.553 1
Trypanosoma cruzi galactokinase, putative 0.0051 0.553 1
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0023 0.1159 0.1159
Onchocerca volvulus Ribonuclease H1 homolog 0.0021 0.0878 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.1159 0.1159
Echinococcus multilocularis galactokinase 0.0051 0.553 1
Trichomonas vaginalis galactokinase, putative 0.0024 0.1271 1
Giardia lamblia Ribonuclease H 0.0021 0.0878 1
Entamoeba histolytica galactokinase, putative 0.0051 0.553 0.5
Schistosoma mansoni phosphoglucomutase 0.0021 0.0878 0.0878
Trichomonas vaginalis galactokinase, putative 0.0024 0.1271 1
Brugia malayi RNase H family protein 0.0021 0.0878 0.6908
Echinococcus multilocularis ribonuclease H1 0.0021 0.0878 0.1587
Trypanosoma brucei ribonuclease H1 0.0021 0.0878 0.0878
Schistosoma mansoni phosphoglucomutase 0.0021 0.0878 0.0878
Trypanosoma brucei RNA helicase, putative 0.008 1 1
Echinococcus multilocularis N acetylgalactosamine kinase 0.0024 0.1271 0.2298
Toxoplasma gondii GHMP kinase, N-terminal domain-containing protein 0.0024 0.1271 1
Leishmania major ribonuclease H1, putative 0.0021 0.0878 0.1587
Toxoplasma gondii ribonuclease HI protein 0.0021 0.0878 0.6908
Treponema pallidum galactokinase 0.0045 0.4495 1
Treponema pallidum ribonuclease H (rnhA) 0.0021 0.0878 0.1952
Trypanosoma brucei ingi protein (ORF1) 0.0023 0.1159 0.1159
Trichomonas vaginalis galactokinase, putative 0.0024 0.1271 1
Trypanosoma brucei galactokinase-like protein, putative 0.0034 0.2854 0.2854
Trypanosoma cruzi ribonuclease H1, putative 0.0021 0.0878 0.1587
Loa Loa (eye worm) galactokinase 0.0024 0.1271 1
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0021 0.0878 1
Mycobacterium ulcerans galactokinase 0.0051 0.553 1
Mycobacterium leprae Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0016 0 0.5
Schistosoma mansoni galactokinase 0.0024 0.1271 0.1271
Trypanosoma cruzi galactokinase, putative 0.0051 0.553 1
Schistosoma mansoni phosphoglucomutase 0.0021 0.0878 0.0878
Trichomonas vaginalis galactokinase, putative 0.0024 0.1271 1

Activities

Activity type Activity value Assay description Source Reference
ND (functional) 0 Inhibition Concentration against EV-71;ND-not determined ChEMBL. 11931618
ND (functional) 0 Cytotoxicity against human rhabdomyosarcoma (RD) cells;ND-not determined ChEMBL. 11931618

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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