Details of the Drug

General Information of Drug (ID: DMH0ROP)

Drug Name
Maltose
Synonyms
beta-maltose; Maltobiose; Maltose, pure; Advanctose 100; 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranose; Cextromaltose; Maltodiose; Finetose; Sunmalt; Malt sugar; Finetose F; Sunmalt S; UNII-R4B6462NGR; D-Glucose, 4-O-alpha-D-glucopyranosyl-; AI3-09089; EINECS 200-716-5; BRN 0093798; 4-O-alpha-D-Glucopyranosyl-D-glucose; R4B6462NGR; 4-(alpha-D-Glucosido)-D-glucose; CHEBI:18147; beta-D-Cellobiose; GUBGYTABKSRVRQ-QUYVBRFLSA-N; beta-D-glucopyranose, 4-O-alpha-D-glucopyranosyl-
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 342.3
Logarithm of the Partition Coefficient (xlogp) -4.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 8
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C12H22O11
IUPAC Name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Canonical SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1
InChIKey
GUBGYTABKSRVRQ-QUYVBRFLSA-N
Cross-matching ID
PubChem CID
6255
ChEBI ID
CHEMBL18147
CAS Number
133-99-3
UNII
66Y63L379N
DrugBank ID
DB03323
TTD ID
D04RYY
INTEDE ID
DR2110
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]
Intestinal maltase-glucoamylase (MGAM) TTXWASR MGA_HUMAN Inhibitor [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Sucrase-isomaltase intestinal (SI) DE5EO4Y SUIS_HUMAN Substrate [2]
Maltose phosphorylase (malP) DE7NXHG Q5FI04_LACAC Substrate [3]
Cellobiose 2-epimerase (CE) DERDXAF CEEP_RUMAL Substrate [4]
Fructokinase (scrK) DEBW1FU SCRK_FUSMR Substrate [5], [6]
Cellobiose 2-epimerase (CE) DEGLW18 A0A173SS24_9FIRM Substrate [4]
Cellobiose 2-epimerase (CE) DENTGJO A0A173Z970_9FIRM Substrate [4]
Cellobiose 2-epimerase (CE) DE4XLDR A0A174ZCD1_9FIRM Substrate [4]
Cellobiose 2-epimerase (CE) DEGBVKJ A9KK53_LACP7 Substrate [4]
Cellobiose 2-epimerase (CE) DEDY9F6 CEEP_EUBCE Substrate [4]
Alpha-glucosidase (aglA) DEST6E5 A0A173ZA10_9FIRM Substrate [7]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Intestinal maltase-glucoamylase (MGAM) DTT MGAM 4.59E-01 -0.02 -0.24
Sucrase-isomaltase intestinal (SI) DME SI 5.34E-01 -5.94E-03 -1.31E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
2 Structural basis for substrate selectivity in human maltase-glucoamylase and sucrase-isomaltase N-terminal domains. J Biol Chem. 2010 Jun 4;285(23):17763-70.
3 Rational engineering of Lactobacillus acidophilus NCFM maltose phosphorylase into either trehalose or kojibiose dual specificity phosphorylase. Protein Eng Des Sel. 2010 Oct;23(10):781-7.
4 Cloning and sequencing of the gene for cellobiose 2-epimerase from a ruminal strain of Eubacterium cellulosolvens. FEMS Microbiol Lett. 2008 Oct;287(1):34-40.
5 Sugar metabolism by fusobacteria: regulation of transport, phosphorylation, and polymer formation by Fusobacterium mortiferum ATCC 25557. Infect Immun. 1991 Dec;59(12):4547-54.
6 Clinical Fusobacterium mortiferum isolates cluster with undifferentiated Clostridium rectum species based on 16S rRNA gene phylogenetic analysis. Ann Clin Lab Sci. 2016 May;46(3):279-81.
7 Novel alpha-glucosidase from human gut microbiome: substrate specificities and their switch. FASEB J. 2010 Oct;24(10):3939-49.