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duvoglustat

AlkaPlorer ID: AK007564

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

Structure

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

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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

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InChIKey: LXBIFEVIBLOUGU-UNTFVMJOSA-N

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Reference

PubChem CID: 10888248

SuperNatural Ⅲ: SN0217761-07

NPASS: NPC2432

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 IC50 nan None 10.1016/j.ejmech.2021.113716
Bos taurus Alpha-L-fucosidase 1 Inhibition 50.0 % 10.1021/jm0495881
Bos taurus Beta-galactosidase Inhibition 50.0 % 10.1021/jm0495881
Coffea arabica Alpha-galactosidase IC50 nan None 10.1016/j.ejmech.2021.113716
Coffea arabica Alpha-galactosidase Inhibition 50.0 % 10.1021/jm0495881
Escherichia coli (strain K12) Beta-glucuronidase IC50 nan None 10.1016/j.ejmech.2021.113716
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-glucosidase IC50 400000.0 nM 10.1021/jm901281m
Homo sapiens Beta-glucosidase cytosolic Inhibition 50.0 % 10.1021/jm0495881
Homo sapiens Beta-mannosidase Inhibition 50.0 % 10.1021/jm0495881
Homo sapiens Ceramide glucosyltransferase IC50 9000.0 nM 10.1021/jm901281m
Homo sapiens Epididymis-specific alpha-mannosidase Inhibition 50.0 % 10.1021/jm0495881
Homo sapiens Glycogen debranching enzyme IC50 100000.0 nM 10.1021/jm901281m
Homo sapiens Lactase-phlorizin hydrolase IC50 1000000.0 nM 10.1021/jm901281m
Homo sapiens Lysosomal alpha-glucosidase IC50 1000000.0 nM 10.1021/jm901281m
Homo sapiens Lysosomal alpha-glucosidase Inhibition nan % 10.1021/acs.jmedchem.1c01673
Homo sapiens Lysosomal alpha-mannosidase Inhibition 50.0 % 10.1021/jm0495881
Homo sapiens Maltase-glucoamylase IC50 1000000.0 nM 10.1021/jm901281m
Homo sapiens Maltase-glucoamylase Inhibition 50.0 % 10.1021/jm0495881
Homo sapiens Sucrase-isomaltase IC50 1000000.0 nM 10.1021/jm901281m
Oryza sativa Japonica Group Alpha-glucosidase Inhibition 50.0 % 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 Sucrase-isomaltase IC50 22000.0 nM 10.1016/j.ejmech.2021.113716
Rattus norvegicus Sucrase-isomaltase IC50 55000.0 nM 10.1016/j.ejmech.2021.113716
Rattus norvegicus Sucrase-isomaltase Inhibition 50.0 % 10.1021/jm0495881
None Unchecked IC50 8400.0 nM 10.1016/j.ejmech.2021.113716
None Unchecked IC50 1000000.0 nM 10.1021/jm901281m
None Unchecked IC50 nan None 10.1016/j.ejmech.2021.113716
None Unchecked Ki 26000.0 nM 10.1016/j.bmcl.2010.05.084

Metabolism Information