Details of the Drug

General Information of Drug (ID: DM5IHYP)

Drug Name
Beta-D-Glucose
Synonyms
beta-D-glucose; beta-D-glucopyranose; 492-61-5; glucoside; b-D-Glucopyranose; beta-glucose; beta-Dextrose; b-Glucose; b-d-glucose; UNII-J4R00M814D; 28905-12-6; .beta.-D-Glucopyranose; 9001-37-0; (2R,3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol; CHEMBL1614854; CHEBI:15903; WQZGKKKJIJFFOK-VFUOTHLCSA-N; J4R00M814D; Curdlan; (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; .beta.-D-Glucose; BGC; ZYMOSAN; Glucose, (beta-D)-Isomer; Callose; b-Dextrose; beta-D-Glucopyranose, anhydrous
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 180.16
Topological Polar Surface Area (xlogp) -2.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C6H12O6
IUPAC Name
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Canonical SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
InChI
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKey
WQZGKKKJIJFFOK-VFUOTHLCSA-N
Cross-matching ID
PubChem CID
64689
ChEBI ID
CHEBI:15903
CAS Number
492-61-5
DrugBank ID
DB02379
TTD ID
D07ONX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Alpha-glucosidase (GLA) TTHCF4J LYAG_HUMAN; GANAB_HUMAN; GANC_HUMAN Inhibitor [1]
Bacterial Fatty acid synthetase I (Bact inhA) TTVTX4N INHA_MYCTU Inhibitor [1]
Glucokinase (GCK) TTDLNGZ HXK4_HUMAN Inhibitor [1]
Glycogen phosphorylase muscle form (GP) TTZHY6R PYGM_HUMAN Inhibitor [1]
Human Deoxyribonucleic acid (hDNA) TTUTN1I NOUNIPROTAC Inhibitor [1]
Pancreatic alpha-amylase (AMY2A) TTCGSZ4 AMYP_HUMAN Inhibitor [1]
Plasmodium Enoyl-ACP reductase (Malaria fabI) TTNX2CS Q965D5_PLAFA Inhibitor [1]
Prostaglandin G/H synthase 1 (COX-1) TT8NGED PGH1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Prostaglandin G/H synthase 1 (COX-1) DTT PTGS1 3.97E-03 0.16 0.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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