Details of the Drug

General Information of Drug (ID: DMM0Z6Y)

Drug Name

Lactose

Synonyms

D(+)Cellobiose; Glcbeta1,4Glc; Lactose, beta-; D-(+)-Cellobiose; D-Glucose, 4-O-beta-D-glucopyranosyl-; NSC2559; beta-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-; 4-O-beta-D-Glucopyranosyl-D-glucose; 528-50-7; beta-Lactose; Cellobiose, beta-; Lactopress; 4-O-Hexopyranosylhexopyranose; ss-Lactose; Lactose NF; beta-Cellobiose; beta-D-Lactose; D-Glucose, 4-O-beta-D-galactopyranosyl-; beta-Maltose monohydrate; SCHEMBL684118; AC1Q28M2; AC1L18X1; SCHEMBL20276017

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): 3

Molecular Weight (mw)

342.3

Topological Polar Surface Area (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([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-DCSYEGIMSA-N

Cross-matching ID

PubChem CID: 6134
ChEBI ID: CHEBI:36218
CAS Number: 63-42-3
DrugBank ID: DB04465
TTD ID: D0K8XC

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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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	Current and future antiviral therapy of severe seasonal and avian influenza. Antiviral Res. 2008 Apr;78(1):91-102.
3	Developing new antiviral agents for influenza treatment: what does the future hold Clin Infect Dis. 2009 Jan 1;48 Suppl 1:S3-13.
4	Inhibition of neuraminidase inhibitor-resistant influenza virus by DAS181, a novel sialidase fusion protein. PLoS One. 2009 Nov 6;4(11):e7838.
5	US patent application no. 2010,0081,713, Compositions and methods for treating viral infections.
6	CN patent application no. 104447481, Benzoic acid thiourea anti-influenza virus compounds as well as preparation method and use thereof.