Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A10BF02
UNII 0V5436JAQW
EPA CompTox DTXSID0023323

Structure

InChI Key IBAQFPQHRJAVAV-ULAWRXDQSA-N
Smiles OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
InChI
InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17NO5
Molecular Weight 207.23
AlogP -3.26
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 104.39
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 14.0

Pharmacology

Mechanism of Action Action Reference
Lysosomal alpha-glucosidase inhibitor INHIBITOR PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 350-590 - 460 -
Enzyme
- 110-500 - 460 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 80.3-99.55
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 80.3-99.55
Homo sapiens
- 350 - 148 -
Mus musculus
- - - 130-230 -
Oryctolagus cuniculus
- 390 - - -
Oryza sativa
- 50-100 - 28-60 -
Rattus norvegicus
- 110-590 - 460 -

Target Conservation

Protein: Maltase-glucoamylase

Description: Maltase-glucoamylase

Organism : Homo sapiens

O43451 ENSG00000257335
Protein: Lysosomal alpha-glucosidase

Description: Lysosomal alpha-glucosidase

Organism : Homo sapiens

P10253 ENSG00000171298

Related Entries

Cross References

Resources Reference
ChEBI 6935
ChEMBL CHEMBL1561
DrugBank DB00491
DrugCentral 1806
FDA SRS 0V5436JAQW
Human Metabolome Database HMDB0014634
Guide to Pharmacology 4842
KEGG C07708
PDB MIG
PharmGKB PA164776726
PubChem 441314
SureChEMBL SCHEMBL22593
ZINC ZINC000004097426