Detailed information for compound 1749521

Basic information

Technical information
  • TDR Targets ID: 1749521
  • Name: [4-(4-acetamido-2-oxopyrimidin-1-yl)-1,3-diox olan-2-yl]methyl benzoate
  • MW: 359.333 | Formula: C17H17N3O6
  • H donors: 1 H acceptors: 3 LogP: 0.42 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccn(c(=O)n1)C1COC(O1)COC(=O)c1ccccc1
  • InChi: 1S/C17H17N3O6/c1-11(21)18-13-7-8-20(17(23)19-13)14-9-24-15(26-14)10-25-16(22)12-5-3-2-4-6-12/h2-8,14-15H,9-10H2,1H3,(H,18,19,21,23)
  • InChiKey: BAODLFFHZLIRKZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-(4-acetamido-2-oxo-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl benzoate
  • benzoic acid [4-(4-acetamido-2-oxo-1-pyrimidinyl)-1,3-dioxolan-2-yl]methyl ester
  • benzoic acid [4-(4-acetamido-2-keto-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl ester

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
Echinococcus multilocularis regulator of G protein signaling 7 0.0186 0.097 0.0655
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0089 0.0222 0.0222
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0089 0.0222 0.5
Loa Loa (eye worm) hypothetical protein 0.0186 0.097 0.097
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.1161 0.8558 0.8558
Echinococcus granulosus axis inhibition protein axin 0.0186 0.097 0.0655
Entamoeba histolytica hypothetical protein 0.0186 0.097 1
Loa Loa (eye worm) hypothetical protein 0.0186 0.097 0.097
Schistosoma mansoni regulator of G protein signaling 0.0186 0.097 0.0556
Brugia malayi regulator of G-protein signaling rgs-7 0.0186 0.097 0.097
Echinococcus multilocularis regulator of G protein signaling 0.0186 0.097 0.0655
Schistosoma mansoni z-protein (S1r protein) 0.0186 0.097 0.0556
Echinococcus multilocularis axis inhibition protein axin 0.0186 0.097 0.0655
Schistosoma mansoni serine/threonine protein kinase 0.0191 0.1012 0.06
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0186 0.097 0.0556
Echinococcus granulosus regulator of G protein signaling 3 0.0186 0.097 0.0655
Echinococcus multilocularis regulator of G protein signaling 3 0.0186 0.097 0.0655
Echinococcus multilocularis G protein coupled receptor kinase 6 0.1161 0.8558 1
Echinococcus granulosus regulator of G protein signaling 7 0.0186 0.097 0.0655
Echinococcus multilocularis Regulator of G protein signaling 20 0.0186 0.097 0.0655
Echinococcus multilocularis axis inhibition protein axin 0.0186 0.097 0.0655
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0186 0.097 0.0556
Loa Loa (eye worm) hypothetical protein 0.0186 0.097 0.097
Brugia malayi Protein kinase domain containing protein 0.0458 0.3092 0.3092
Brugia malayi hypothetical protein 0.0186 0.097 0.097
Brugia malayi regulator of G-protein signaling egl-10 0.0186 0.097 0.097
Brugia malayi PXA domain containing protein 0.0186 0.097 0.097
Echinococcus granulosus axis inhibition protein axin 0.0186 0.097 0.0655
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0186 0.097 0.0655
Giardia lamblia Kinase, AGC AKT 0.0089 0.0222 0.5
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0191 0.1012 0.1012
Echinococcus granulosus regulator of G protein signaling 3 0.0186 0.097 0.0655
Echinococcus granulosus expressed protein 0.0186 0.097 0.0655
Echinococcus granulosus Regulator of G protein signaling 20 0.0186 0.097 0.0655
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0186 0.097 0.097
Trichomonas vaginalis conserved hypothetical protein 0.0186 0.097 1
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0186 0.097 0.0655
Echinococcus multilocularis regulator of G protein signaling 7 0.0186 0.097 0.0655
Loa Loa (eye worm) hypothetical protein 0.0186 0.097 0.097
Echinococcus granulosus rho-associated protein kinase 1 0.0151 0.0702 0.0324
Schistosoma mansoni serine/threonine protein kinase 0.1347 1 1
Schistosoma mansoni regulator of G protein signaling 0.0186 0.097 0.0556
Schistosoma mansoni axis inhibition protein axin 0.0186 0.097 0.0556
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0117 0.0439 0.0439
Loa Loa (eye worm) RGS-3 protein 0.0186 0.097 0.097
Echinococcus granulosus beta-adrenergic receptor kinase 0.0191 0.1012 0.0706
Schistosoma mansoni serine/threonine protein kinase 0.0191 0.1012 0.06
Brugia malayi Regulator of G protein signaling domain containing protein 0.0186 0.097 0.097
Echinococcus multilocularis rho associated protein kinase 0.0151 0.0702 0.0324
Toxoplasma gondii AGC kinase 0.0061 0 0.5
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1161 0.8558 0.8558
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1347 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0186 0.097 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0186 0.097 0.097
Schistosoma mansoni regulator of G protein signaling 0.0186 0.097 0.0556
Loa Loa (eye worm) PXA domain-containing protein 0.0186 0.097 0.097
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.1161 0.8558 1
Onchocerca volvulus 0.0151 0.0702 1
Schistosoma mansoni serine/threonine protein kinase 0.0151 0.0702 0.0275
Echinococcus multilocularis expressed protein 0.0186 0.097 0.0655
Trichomonas vaginalis conserved hypothetical protein 0.0186 0.097 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.1161 0.8558 0.8558
Entamoeba histolytica hypothetical protein 0.0186 0.097 1
Echinococcus multilocularis beta adrenergic receptor kinase 0.0191 0.1012 0.0706
Schistosoma mansoni regulator of G protein signaling 0.0186 0.097 0.0556
Brugia malayi PXA domain containing protein 0.0186 0.097 0.097
Schistosoma mansoni axis inhibition protein axin 0.0186 0.097 0.0556
Brugia malayi hypothetical protein 0.0186 0.097 0.097
Brugia malayi A-kinase anchor protein 10, precursor 0.0186 0.097 0.097
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0186 0.097 1
Trichomonas vaginalis conserved hypothetical protein 0.0186 0.097 1
Trichomonas vaginalis conserved hypothetical protein 0.0186 0.097 1
Schistosoma mansoni regulator of G protein signaling 0.0186 0.097 0.0556
Echinococcus granulosus regulator of G protein signaling 7 0.0186 0.097 0.0655
Trichomonas vaginalis conserved hypothetical protein 0.0186 0.097 1
Echinococcus multilocularis regulator of G protein signaling 3 0.0186 0.097 0.0655
Entamoeba histolytica hypothetical protein 0.0186 0.097 1
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0458 0.3092 0.3092
Loa Loa (eye worm) hypothetical protein 0.0186 0.097 0.097
Loa Loa (eye worm) hypothetical protein 0.0186 0.097 0.097
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0186 0.097 0.0556
Trypanosoma brucei rac serine-threonine kinase, putative 0.0061 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 26.8325 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (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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