Detailed information for compound 1268726

Basic information

Technical information
  • TDR Targets ID: 1268726
  • Name: 2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-p yridin-4-yl-6,8-dihydro-4H-chromene-3-carboxy late
  • MW: 372.415 | Formula: C20H24N2O5
  • H donors: 1 H acceptors: 3 LogP: 1.74 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCOC(=O)C1=C(N)OC2=C(C1c1ccncc1)C(=O)CC(C2)(C)C
  • InChi: 1S/C20H24N2O5/c1-20(2)10-13(23)16-14(11-20)27-18(21)17(19(24)26-9-8-25-3)15(16)12-4-6-22-7-5-12/h4-7,15H,8-11,21H2,1-3H3
  • InChiKey: ABRVHGVEXGVWMK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-(4-pyridyl)-6,8-dihydro-4H-chromene-3-carboxylate
  • 2-amino-7,7-dimethyl-5-oxo-4-(4-pyridyl)-6,8-dihydro-4H-chromene-3-carboxylic acid 2-methoxyethyl ester
  • 2-amino-5-keto-7,7-dimethyl-4-(4-pyridyl)-6,8-dihydro-4H-chromene-3-carboxylic acid 2-methoxyethyl ester
  • BAS 07416863
  • EU-0084108
  • MLS000707350
  • SMR000288815
  • ChemDiv1_010901
  • A0566/0026132

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans hypothetical 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
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
Onchocerca volvulus 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
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative 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 mansoni alpha-glucosidase 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 closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase 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
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative 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
Loa Loa (eye worm) glycosyl hydrolase family 31 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
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0102 0 0.5
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.1291 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0102 0 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0795 0.0795
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0795 0.0795
Plasmodium falciparum peptidase, putative 0.0102 0 0.5
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0102 0 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0102 0 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.0564 0.0564
Giardia lamblia Alanyl dipeptidyl peptidase 0.0102 0 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.1291 1 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.1291 1 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0102 0 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0102 0 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0795 0.0795
Schistosoma mansoni alpha-glucosidase 0.0169 0.0564 0.0564
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0434 0.2791 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0434 0.2791 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0434 0.2791 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0434 0.2791 1
Mycobacterium tuberculosis Probable peptidase 0.0102 0 0.5
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0102 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0332 0.193 0.193
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.1291 1 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0434 0.2791 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.1291 1 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.0434 0.2791 0.2791
Brugia malayi prolyl oligopeptidase family protein 0.0434 0.2791 0.2791
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0102 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0102 0 0.5
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0434 0.2791 0.2791
Onchocerca volvulus 0.0114 0.0097 0.0097
Plasmodium vivax hypothetical protein, conserved 0.0102 0 0.5
Brugia malayi hypothetical protein 0.0332 0.193 0.193
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0102 0 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0434 0.2791 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0102 0 0.5
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0434 0.2791 0.2791
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0795 0.0795
Giardia lamblia Alanyl dipeptidyl peptidase 0.0102 0 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0795 0.0795
Trichomonas vaginalis conserved hypothetical protein 0.0102 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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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