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Deoxymannojirimycin

AlkaPlorer ID: AK007567

Synonym: None

IUPAC Name: (2R,3R,4R,5R)-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-/m1/s1

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InChIKey: LXBIFEVIBLOUGU-KVTDHHQDSA-N

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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
Bacteroides thetaiotaomicron GH92 alpha-mannosidase Ki 12000000.0 nM 10.1038/nchembio.278
Bacteroides thetaiotaomicron GH92 alpha-mannosidase Ki 13000000.0 nM 10.1038/nchembio.278
Bos taurus Alpha-L-fucosidase 1 IC50 39000.0 nM 10.1021/jm0495881
Bos taurus Alpha-L-fucosidase 1 Ki 4700.0 nM 10.1021/jm0495881
Bos taurus Beta-galactosidase Inhibition 50.0 % 10.1021/jm0495881
Coffea arabica Alpha-galactosidase Inhibition 50.0 % 10.1021/jm0495881
Glycine max Alpha-mannosidase IC50 840000.0 nM 10.1021/jm0495881
Glycine max Alpha-mannosidase Inhibition 50.0 % 10.1021/jm0495881
Glycine max Alpha-mannosidase Ki 18000.0 nM 10.1016/j.bmcl.2006.01.095
Homo sapiens Alpha-galactosidase A Inhibition 50.0 % 10.1021/jm0495881
Homo sapiens Alpha-L-fucosidase I IC50 221000.0 nM 10.1021/jm0495881
Homo sapiens Alpha-L-fucosidase I Ki 4700.0 nM 10.1021/jm970836l
Homo sapiens Alpha-L-fucosidase I Ki 30000.0 nM 10.1016/S0960-894X(00)80649-6
Homo sapiens Beta-galactosidase Inhibition 50.0 % 10.1021/jm0495881
Homo sapiens Beta-glucosidase cytosolic Inhibition 50.0 % 10.1021/jm0495881
Homo sapiens Beta-mannosidase Activity nan None 10.1016/S0960-894X(00)80648-4
Homo sapiens Beta-mannosidase Inhibition 50.0 % 10.1021/jm0495881
Homo sapiens Epididymis-specific alpha-mannosidase IC50 560000.0 nM 10.1021/jm0495881
Homo sapiens Histone deacetylase 6 Inhibition 1.13 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 1.15 % 10.6019/CHEMBL4808148
Homo sapiens Lysosomal alpha-glucosidase Potency 28183.8 nM None
Homo sapiens Lysosomal alpha-mannosidase Inhibition 50.0 % 10.1021/jm0495881
Homo sapiens Maltase-glucoamylase Inhibition 50.0 % 10.1021/jm0495881
Homo sapiens Neutral alpha-glucosidase AB Activity nan None 10.1016/S0960-894X(00)80648-4
Homo sapiens PBMC Inhibition 8.8 % 10.1016/j.bmcl.2011.10.081
Homo sapiens PBMC Inhibition nan % 10.1016/j.bmcl.2011.10.081
Homo sapiens Thyroid hormone receptor beta-1 Potency 1778.3 nM None
Homo sapiens Tyrosine-protein kinase JAK1 Inhibition nan % 10.1016/j.bmcl.2011.10.081
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 110000.0 nM 10.1021/jm0495881
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 18.75 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.11 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 8.77 % 10.21203/rs.3.rs-23951/v1
None T-cell Activity 1.5 % 10.1016/j.bmcl.2011.10.081
None Unchecked Activity nan None 10.1021/np50098a020
None Unchecked Ki 33000000.0 nM 10.1038/nchembio.81

Metabolism Information