Molecule

duvoglustat

AlkaPlorer ID: AK007566

Synonym: '', 'Deoxynojirimycin', 'DNJ', '5-amino-1,5-dideoxy-D-glucopyranose', '1,5-deoxy-1,5-imino-D-mannitol', '1-DEOXYNOJIRIMYCIN', '1-deoxynojirimycin', '(+)-1-Deoxynojirimycin', '1-deoxymannojirimycin', '1-Deoxynojirimycin', 'Moranoline', 'D-1-deoxynojirimycin', '(-)-Deoxymannojirimycin', 'BAY-H-5595', '1-Deoxymannojirimycin', 'Moranolin', '1,5-dideoxy-1,5-imino-D-glucitol'

IUPAC Name: (2S,3S,4S,5R)-2-(hydroxymethyl)piperidine-3,4,5-triol

Structure

SMILES: OC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1O

InChI: InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m0/s1

InChIKey: LXBIFEVIBLOUGU-FSIIMWSLSA-N

Reference

PubChem CID: 44387838

CAS: 19130-96-2

NPASS: NPC69669

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Taxillus chinensis	Taxillus	Loranthaceae	Santalales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Morus alba	Morus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Morus bombycis	Morus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 163.173

TPSA？: 92.95

MolLogP？: -2.9667999999999988

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Aspergillus niger	Alpha-galactosidase C	Inhibition	50.0	%	10.1021/jm0495881
Bos taurus	Alpha-L-fucosidase 1	Inhibition	50.0	%	10.1016/j.bmc.2011.04.011
Bos taurus	Alpha-L-fucosidase 1	Inhibition	50.0	%	10.1021/jm0495881
Bos taurus	Beta-galactosidase	IC50	560000.0	nM	10.1016/j.bmc.2011.04.011
Bos taurus	Beta-galactosidase	IC50	560000.0	nM	10.1021/jm0495881
Bos taurus	Glucosylceramidase	Inhibition	50.0	%	10.1016/j.bmc.2011.04.011
Coffea arabica	Alpha-galactosidase	Inhibition	50.0	%	10.1021/jm0495881
Glycine max	Alpha-mannosidase	Inhibition	50.0	%	10.1021/jm0495881
Homo sapiens	Alpha-galactosidase A	Inhibition	50.0	%	10.1021/jm0495881
Homo sapiens	Alpha-L-fucosidase I	Inhibition	50.0	%	10.1021/jm0495881
Homo sapiens	Beta-galactosidase	Inhibition	50.0	%	10.1021/jm0495881
Homo sapiens	Beta-glucocerebrosidase	Inhibition	50.0	%	10.1016/j.bmc.2011.04.011
Homo sapiens	Beta-glucosidase cytosolic	IC50	980000.0	nM	10.1021/jm0495881
Homo sapiens	Beta-glucosidase cytosolic	Inhibition	50.0	%	10.1021/jm0495881
Homo sapiens	Beta-mannosidase	Inhibition	50.0	%	10.1021/jm0495881
Homo sapiens	Epididymis-specific alpha-mannosidase	Inhibition	50.0	%	10.1021/jm0495881
Homo sapiens	Lysosomal alpha-mannosidase	Inhibition	50.0	%	10.1021/jm0495881
Homo sapiens	Maltase-glucoamylase	Inhibition	50.0	%	10.1021/jm0495881
Oryza sativa Japonica Group	Alpha-glucosidase	IC50	4300.0	nM	10.1021/jm0495881
Rattus norvegicus	Beta-galactosidase	Inhibition	50.0	%	10.1021/jm0495881
Rattus norvegicus	Beta-mannosidase	Inhibition	50.0	%	10.1021/jm0495881
Rattus norvegicus	Lactase-glycosylceramidase	IC50	317000.0	nM	10.1016/j.bmc.2011.04.011
Rattus norvegicus	Sucrase-isomaltase	IC50	18000.0	nM	10.1016/j.bmc.2011.04.011
Rattus norvegicus	Sucrase-isomaltase	IC50	28000.0	nM	10.1021/jm0495881
Rattus norvegicus	Sucrase-isomaltase	IC50	150000.0	nM	10.1016/j.bmc.2011.04.011
None	Unchecked	IC50	4300.0	nM	10.1016/j.bmc.2011.04.011
None	Unchecked	IC50	28000.0	nM	10.1016/j.bmc.2011.04.011
None	Unchecked	IC50	980000.0	nM	10.1016/j.bmc.2011.04.011
None	Unchecked	Inhibition	50.0	%	10.1016/j.bmc.2011.04.011