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
CHEMBL1614854
CAS Number
492-61-5
UNII
J4R00M814D
DrugBank ID
DB02379
TTD ID
D07ONX
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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
Baculoviral IAP repeat-containing protein 3 (BIRC3) OT3E95KB BIRC3_HUMAN Gene/Protein Processing [2]
C-C motif chemokine 2 (CCL2) OTAD2HEL CCL2_HUMAN Protein Interaction/Cellular Processes [3]
C-C motif chemokine 20 (CCL20) OTUCJY4N CCL20_HUMAN Gene/Protein Processing [4]
C-type lectin domain family 7 member A (CLEC7A) OTRTBH27 CLC7A_HUMAN Gene/Protein Processing [5]
Catenin beta-1 (CTNNB1) OTZ932A3 CTNB1_HUMAN Gene/Protein Processing [6]
CD83 antigen (CD83) OT1V4WQF CD83_HUMAN Gene/Protein Processing [7]
E3 ubiquitin-protein ligase XIAP OT24GP9B XIAP_HUMAN Gene/Protein Processing [2]
Ferritin light chain (FTL) OTYQA8A6 FRIL_HUMAN Gene/Protein Processing [8]
Interleukin-12 subunit beta (IL12B) OT0JF8A3 IL12B_HUMAN Protein Interaction/Cellular Processes [9]
Interleukin-8 (CXCL8) OTS7T5VH IL8_HUMAN Gene/Protein Processing [10]
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 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.
3 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.
4 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.
5 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.
6 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.
7 Expression and function of mixed lineage kinases in dendritic cells. Int Immunol. 2007 Aug;19(8):923-33. doi: 10.1093/intimm/dxm050. Epub 2007 Aug 13.
8 Effects of Anaplasma phagocytophilum on host cell ferritin mRNA and protein levels. Infect Immun. 2005 Nov;73(11):7629-36. doi: 10.1128/IAI.73.11.7629-7636.2005.
9 Proinflammatory response of immature human dendritic cells is mediated by dectin-1 after exposure to Aspergillus fumigatus germ tubes. J Infect Dis. 2008 Mar 15;197(6):924-31. doi: 10.1086/528694.
10 Regulation of interleukin-8 gene expression after phagocytosis of zymosan by human monocytic cells. J Leukoc Biol. 2001 Sep;70(3):447-54.