Detailed information for compound 937946

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 297.347 | Formula: C15H23NO5
  • H donors: 6 H acceptors: 5 LogP: -0.84 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@@]1(O)C[C@H](NCCc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O
  • InChi: 1S/C15H23NO5/c17-9-15(21)8-11(12(18)13(19)14(15)20)16-7-6-10-4-2-1-3-5-10/h1-5,11-14,16-21H,6-9H2/t11-,12-,13+,14-,15-/m0/s1
  • InChiKey: OWHANSQDQANFQZ-RMEBNNNOSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens maltase-glucoamylase (alpha-glucosidase) Starlite/ChEMBL References
Homo sapiens sucrase-isomaltase (alpha-glucosidase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055

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
Loa Loa (eye worm) hypothetical protein 0.0623 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0203 0 0.5
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.0203 0 0.5
Entamoeba histolytica adenosine deaminase, putative 0.0623 1 1
Mycobacterium ulcerans adenosine deaminase 0.0623 1 0.5
Onchocerca volvulus 0.0284 0.1941 0.1941
Loa Loa (eye worm) hypothetical protein 0.042 0.5169 0.5169
Trichomonas vaginalis adenosine deaminase, putative 0.0623 1 0.5
Schistosoma mansoni alpha-glucosidase 0.0423 0.5247 0.5247
Schistosoma mansoni adenosine deaminase-related 0.0623 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0203 0 0.5
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0623 1 0.5
Echinococcus granulosus adenosine deaminase 0.0623 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0423 0.5247 0.5247
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0623 1 1
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0623 1 1
Trypanosoma brucei AMP deaminase, putative 0.0203 0 0.5
Plasmodium vivax adenosine deaminase, putative 0.0623 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0203 0 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0423 0.5247 0.5247
Brugia malayi Glycosyl hydrolases family 31 protein 0.0423 0.5247 0.5247
Echinococcus multilocularis adenosine deaminase 0.0623 1 1
Onchocerca volvulus Adenosine deaminase homolog 0.0623 1 1
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0623 1 0.5
Loa Loa (eye worm) hypothetical protein 0.042 0.5169 0.5169
Trypanosoma cruzi AMP deaminase, putative 0.0203 0 0.5
Treponema pallidum adenosine deaminase 0.0623 1 0.5
Leishmania major adenine aminohydrolase 0.0623 1 1
Loa Loa (eye worm) hypothetical protein 0.042 0.5169 0.5169
Trichomonas vaginalis adenosine deaminase, putative 0.0623 1 0.5
Entamoeba histolytica adenosine deaminase, putative 0.0623 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0423 0.5247 0.5247
Loa Loa (eye worm) hypothetical protein 0.042 0.5169 0.5169
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0203 0 0.5
Trypanosoma cruzi AMP deaminase, putative 0.0203 0 0.5
Trypanosoma cruzi AMP deaminase 2, putative 0.0203 0 0.5
Schistosoma mansoni adenosine deaminase 0.0623 1 1
Plasmodium falciparum adenosine deaminase 0.0623 1 1
Trypanosoma brucei AMP deaminase, putative 0.0203 0 0.5
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0203 0 0.5
Trypanosoma brucei AMP deaminase, putative 0.0203 0 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0423 0.5247 0.5247
Schistosoma mansoni alpha-glucosidase 0.0423 0.5247 0.5247

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0000000023 M Alpha-D-glucosidase inhibitory activity and enzyme inhibition in vitro against porcine sucrase ChEMBL. 3519969
IC50 (binding) = 0.0000001 M Inhibitory activity against porcine maltase ChEMBL. 3519969

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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