Details of the Drug

General Information of Drug (ID: DM8IY3D)

Drug Name
7-O-b-D-Glucopyranosyl-a-homonojirimycin
Synonyms
CHEMBL478209; NSC630254; 104343-33-1; MDL-25637; 7-O-b-D-Glucopyranosyl-a-homonojirimycin; AC1L9X0M; SCHEMBL305712; BDBM50263042; 2,6-Dideoxy-2,6-imino-7-O-.beta.-D-glucopyranosyl-D-glycero-L-gulo-heptitol hydrochloride hydrate; (2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-3,4,5-triol; .beta.-D-glucopyranoside, [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-piperidinyl]methyl
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) 355.34
Logarithm of the Partition Coefficient (xlogp) -4.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 9
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C13H25NO10
IUPAC Name
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-3,4,5-triol
Canonical SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](N1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C13H25NO10/c15-1-4-7(17)10(20)8(18)5(14-4)3-23-13-12(22)11(21)9(19)6(2-16)24-13/h4-22H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12-,13-/m1/s1
InChIKey
VCIPQQCYKMORDY-KBYFLBCBSA-N
Cross-matching ID
PubChem CID
457676
CAS Number
104343-33-1
TTD ID
D07JCA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lysosomal alpha-glucosidase (GAA) TTLPC70 LYAG_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 In vitro inhibition of glycogen-degrading enzymes and glycosidases by six-membered sugar mimics and their evaluation in cell cultures. Bioorg Med Chem. 2008 Aug 1;16(15):7330-6.