Molecule

duvoglustat

AlkaPlorer ID: AK007565

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: (2R,3R,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+/m1/s1

InChIKey: LXBIFEVIBLOUGU-KAZBKCHUSA-N

Reference

PubChem CID: 10702150

SuperNatural Ⅲ: SN0217761-04

NPASS: NPC218150

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Scilla	Hyacinthaceae	Asparagales	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
Aspergillus niger	Alpha-glucosidase	Inhibition	19.1	%	10.1016/j.bmc.2013.03.004
Bos taurus	Alpha-L-fucosidase 1	IC50	194000.0	nM	10.1016/j.bmc.2013.03.004
Bos taurus	Alpha-L-fucosidase 1	Inhibition	50.0	%	10.1021/jm0495881
Bos taurus	Alpha-L-fucosidase 1	Inhibition	50.0	%	10.1021/np020296h
Bos taurus	Beta-galactosidase	IC50	700000.0	nM	10.1021/np020296h
Bos taurus	Beta-galactosidase	Inhibition	19.9	%	10.1016/j.bmc.2013.03.004
Bos taurus	Beta-galactosidase	Inhibition	50.0	%	10.1021/jm0495881
Bos taurus	Beta-glucuronidase	Inhibition	7.4	%	10.1016/j.bmc.2013.03.004
Bos taurus	Glucosylceramidase	Inhibition	10.9	%	10.1016/j.bmc.2013.03.004
Caldicellulosiruptor saccharolyticus	Beta-glucosidase A	Inhibition	50.0	%	10.1021/np020296h
Coffea arabica	Alpha-galactosidase	Inhibition	50.0	%	10.1021/jm0495881
Glycine max	Alpha-mannosidase	Inhibition	50.0	%	10.1021/jm0495881
Homo sapiens	Epididymis-specific alpha-mannosidase	Inhibition	50.0	%	10.1021/jm0495881
Oryza sativa Japonica Group	Alpha-glucosidase	Inhibition	50.0	%	10.1021/jm0495881
Rattus norvegicus	Acidic alpha-glucosidase	Inhibition	50.0	%	10.1021/np020296h
Rattus norvegicus	Beta-galactosidase	Inhibition	50.0	%	10.1021/jm0495881
Rattus norvegicus	Beta-mannosidase	Inhibition	50.0	%	10.1021/jm0495881
Rattus norvegicus	Beta-mannosidase	Inhibition	50.0	%	10.1021/np020296h
Rattus norvegicus	Sucrase-isomaltase	Inhibition	50.0	%	10.1021/jm0495881
Saccharomyces cerevisiae S288c	Oligo-1,6-glucosidase	Inhibition	50.0	%	10.1021/np020296h
None	Unchecked	IC50	1800.0	nM	10.1021/np020296h
None	Unchecked	Inhibition	0.0	%	10.1016/j.bmc.2013.03.004
None	Unchecked	Inhibition	1.4	%	10.1016/j.bmc.2013.03.004
None	Unchecked	Inhibition	1.8	%	10.1016/j.bmc.2013.03.004
None	Unchecked	Inhibition	2.1	%	10.1016/j.bmc.2013.03.004
None	Unchecked	Inhibition	5.0	%	10.1016/j.bmc.2013.03.004
None	Unchecked	Inhibition	7.0	%	10.1016/j.bmc.2013.03.004
None	Unchecked	Inhibition	7.2	%	10.1016/j.bmc.2013.03.004
None	Unchecked	Inhibition	18.8	%	10.1016/j.bmc.2013.03.004
None	Unchecked	Inhibition	20.5	%	10.1016/j.bmc.2013.03.004
None	Unchecked	Inhibition	24.2	%	10.1016/j.bmc.2013.03.004
None	Unchecked	Inhibition	44.6	%	10.1016/j.bmc.2013.03.004
None	Unchecked	Inhibition	50.0	%	10.1021/np020296h