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
Logarithm of the Partition Coefficient (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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Apoptosis regulator BAX (BAX) OTAW0V4V BAX_HUMAN Gene/Protein Processing [2]
Apoptosis regulator Bcl-2 (BCL2) OT9DVHC0 BCL2_HUMAN Gene/Protein Processing [2]
Baculoviral IAP repeat-containing protein 3 (BIRC3) OT3E95KB BIRC3_HUMAN Gene/Protein Processing [3]
C-C motif chemokine 2 (CCL2) OTAD2HEL CCL2_HUMAN Protein Interaction/Cellular Processes [4]
C-C motif chemokine 20 (CCL20) OTUCJY4N CCL20_HUMAN Gene/Protein Processing [5]
C-type lectin domain family 7 member A (CLEC7A) OTRTBH27 CLC7A_HUMAN Gene/Protein Processing [6]
Caspase-3 (CASP3) OTIJRBE7 CASP3_HUMAN Gene/Protein Processing [2]
Caspase-9 (CASP9) OTD4RFFG CASP9_HUMAN Gene/Protein Processing [2]
Catalase (CAT) OTHEBX9R CATA_HUMAN Gene/Protein Processing [7]
Catenin beta-1 (CTNNB1) OTZ932A3 CTNB1_HUMAN Gene/Protein Processing [8]
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

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2 A novel synergistic anticancer effect of fungal cholestanol glucoside and paclitaxel: Apoptosis induced by an intrinsic pathway through ROS generation in cervical cancer cell line (HeLa). Toxicol In Vitro. 2021 Apr;72:105079. doi: 10.1016/j.tiv.2021.105079. Epub 2021 Jan 8.
3 Neisseria gonorrhoeae delays the onset of apoptosis in polymorphonuclear leukocytes. Cell Microbiol. 2006 Nov;8(11):1780-90. doi: 10.1111/j.1462-5822.2006.00748.x. Epub 2006 Jun 27.
4 Toll-like receptor (TLR) expression and TLR-mediated cytokine/chemokine production by human uterine epithelial cells. Immunology. 2004 Jul;112(3):428-36. doi: 10.1111/j.1365-2567.2004.01898.x.
5 Activation of airway epithelial cells by toll-like receptor agonists. Am J Respir Cell Mol Biol. 2004 Sep;31(3):358-64. doi: 10.1165/rcmb.2003-0388OC. Epub 2004 Jun 10.
6 Fungal cell wall agents suppress the innate inflammatory cytokine responses of human peripheral blood mononuclear cells challenged with lipopolysaccharide in vitro. Int Immunopharmacol. 2011 Aug;11(8):939-47. doi: 10.1016/j.intimp.2011.02.006. Epub 2011 Feb 15.
7 Human alveolar macrophages and granulocyte-macrophage colony-stimulating factor-induced monocyte-derived macrophages are resistant to H2O2 via their high basal and inducible levels of catalase activity. J Biol Chem. 2001 Jun 29;276(26):24360-4.
8 Regulation and possible function of beta-catenin in human monocytes. J Immunol. 2001 Dec 15;167(12):6786-93. doi: 10.4049/jimmunol.167.12.6786.