Detailed information for compound 104548

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 304.298 | Formula: C15H16N2O5
  • H donors: 1 H acceptors: 4 LogP: 1.32 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)CCn1nc(c(c1)C(=O)O)OCc1ccccc1
  • InChi: 1S/C15H16N2O5/c1-21-13(18)7-8-17-9-12(15(19)20)14(16-17)22-10-11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,19,20)
  • InChiKey: SVHQIHSFTBPIQZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Schistosoma mansoni glycogen phosphorylase 0.0114 0.5665 0.69
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0049 0.083 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0756 0.0756
Giardia lamblia Glycogen phosphorylase 0.0114 0.5665 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0756 0.0756
Entamoeba histolytica glycogen phosphorylase, putative 0.0049 0.083 0.1466
Trichomonas vaginalis glycogen phosphorylase, putative 0.0114 0.5665 1
Echinococcus multilocularis Glycosyl transferase, family 35 0.0114 0.5665 0.5665
Echinococcus multilocularis lysosomal alpha glucosidase 0.0171 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0756 0.0756
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0171 1 1
Echinococcus granulosus Glycosyl transferase family 35 0.0114 0.5665 0.5665
Schistosoma mansoni alpha-glucosidase 0.0147 0.821 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0171 1 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0171 1 1
Loa Loa (eye worm) glycogen phosphorylase 0.0114 0.5665 0.5665
Echinococcus multilocularis glycogen phosphorylase 0.0114 0.5665 0.5665
Chlamydia trachomatis glycogen phosphorylase 0.0114 0.5665 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.0049 0.083 0.1466
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0756 0.0921
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0 0.5
Trichomonas vaginalis glycogen phosphorylase, putative 0.0114 0.5665 1
Schistosoma mansoni glycogen phosphorylase 0.0114 0.5665 0.69
Trypanosoma brucei glucosidase, putative 0.0038 0 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0038 0 0.5
Brugia malayi carbohydrate phosphorylase 0.0114 0.5665 0.5665
Echinococcus granulosus glycogen phosphorylase 0.0114 0.5665 0.5665
Entamoeba histolytica glycogenphosphorylase, putative 0.0049 0.083 0.1466
Entamoeba histolytica glycogen phosphorylase, putative 0.0114 0.5665 1
Echinococcus multilocularis glycogen phosphorylase 0.0114 0.5665 0.5665
Onchocerca volvulus Glycogen phosphorylase homolog 0.0114 0.5665 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0756 0.0756
Echinococcus granulosus glycogen phosphorylase 0.0114 0.5665 0.5665
Schistosoma mansoni glycogen phosphorylase 0.0049 0.083 0.1011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0756 0.0756
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0756 0.0756
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0756 0.0921
Entamoeba histolytica glycogen phosphorylase, putative 0.0114 0.5665 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0756 0.0921
Schistosoma mansoni alpha-glucosidase 0.0147 0.821 1
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0049 0.083 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Glyceamia evolution (functional) = -13 % Evolution of glycemia 2 hr after first administration at the dose of 200 mg/kg in rat ChEMBL. 12127514
Glyceamia evolution (functional) = -7 % Evolution of glycemia 2 hr after the last administration for 4 days chronic treatment at the dose of 20 mg/kg in rat ChEMBL. 12127514
Glyceamia evolution (functional) = -3 % Evolution of glycemia 2 hr after first administration at the dose of 20 mg/kg in rat ChEMBL. 12127514
Glyceamia evolution (functional) = -3 % Evolution of glycemia 2 hr after the last administration for 4 days chronic treatment at the dose of 200 mg/kg in rat ChEMBL. 12127514

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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