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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: GUBGYTABKSRVRQ-DCSYEGIMSA-N
InChIKey: 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

Cross-matching ID

PubChem CID: 6134
ChEBI ID: CHEBI:36218
CAS Number: 5965-66-2
DrugBank ID: DB04465
INTEDE ID: DR2807

Combinatorial Drugs (CBD)

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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]

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.