Details of the Drug

General Information of Drug (ID: DMO4GPK)

Drug Name
Lactose
Synonyms
Aletobiose; D-(+)-Lactose; D-Lactose; Fast-flo; Fast-flo Lactose; Galactinum; Lactin; Lactobiose; Lactose; Lactose [JAN]; Lactose anhydrous; Lactosum anhydricum; Milk sugar; Pharmatose 450M; Saccharum lactin; beta-D-Lactose; beta-Lactose; (+)-Lactose; .beta.-Lactose; 4-(beta-D-Galactosido)-D-glucose; 4-O-beta-D-Galactopyranosyl-D-glucose; 4-O-beta-D-Galactopyranosyl-beta-D-glucopyranose; 5965-66-2; D-Glucose, 4-O-beta-D-galactopyranosyl; EINECS 227-751-9; UNII-13Q3A43E0S; beta-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
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,3R,4S,5R,6S)-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(C1C(C(C(C(O1)OC2C(OC(C(C2O)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-DCSYEGIMSA-N
Cross-matching ID
PubChem CID
6134
ChEBI ID
CHEMBL36218
CAS Number
5965-66-2
UNII
3SY5LH9PMK
DrugBank ID
DB04465
INTEDE ID
DR2807
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Influenza Neuraminidase (Influ NA) TT50QJ3 NRAM_I33A0 Inhibitor [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Beta-galactosidase (bgaB) DEQB4LT A0A2U1B4D0_9BACT Substrate [2]
Cellobiose 2-epimerase (CE) DEGLW18 A0A173SS24_9FIRM Substrate [3]
Cellobiose 2-epimerase (CE) DENTGJO A0A173Z970_9FIRM Substrate [3]
Cellobiose 2-epimerase (CE) DE4XLDR A0A174ZCD1_9FIRM Substrate [3]
Cellobiose 2-epimerase (CE) DEGBVKJ A9KK53_LACP7 Substrate [3]
Cellobiose 2-epimerase (CE) DEDY9F6 CEEP_EUBCE Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2 Identification and characterization of a novel beta-galactosidase from Victivallis vadensis ATCC BAA-548, an anaerobic fecal bacterium. J Microbiol. 2012 Dec;50(6):1034-40.
3 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.