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name Structure Reference Source Properties Activities Metabolism

Migalastat

AlkaPlorer ID: AK005208

Synonym: None

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

Structure

SMILES: C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O

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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-DPYQTVNSSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 163.173

TPSA？: 92.95

MolLogP？: -2.9667999999999983

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 IC50 1800.0 nM 10.1021/jm0495881
Bos taurus Alpha-L-fucosidase 1 Inhibition 50.0 % 10.1016/j.bmc.2010.04.048
Bos taurus Alpha-L-fucosidase 1 Inhibition 50.0 % 10.1021/jm0495881
Bos taurus Beta-galactosidase Inhibition 50.0 % 10.1021/jm0495881
Caldicellulosiruptor saccharolyticus Beta-glucosidase A IC50 367000.0 nM 10.1016/j.bmc.2010.04.048
Coffea arabica Alpha-galactosidase IC50 3.0 nM 10.1016/j.bmc.2010.04.048
Coffea arabica Alpha-galactosidase Ki 13.0 nM 10.1016/j.bmcl.2010.05.084
Escherichia coli Beta-galactosidase Ki 13000.0 nM 10.1016/j.bmcl.2010.05.084
Glycine max Alpha-mannosidase Inhibition 50.0 % 10.1021/jm0495881
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-galactosidase A Activity nan None 10.1016/j.ejmech.2016.07.025
Homo sapiens Alpha-galactosidase A Activity nan None 10.1016/j.ejmech.2016.10.004
Homo sapiens Alpha-galactosidase A FC 14.0 None 10.1021/jm301557k
Homo sapiens Alpha-galactosidase A IC50 13.0 nM 10.1016/j.ejmech.2016.10.004
Homo sapiens Alpha-galactosidase A IC50 42.0 nM 10.1016/j.ejmech.2016.10.004
Homo sapiens Alpha-galactosidase A IC50 70.0 nM 10.1016/j.bmc.2010.04.048
Homo sapiens Alpha-galactosidase A IC50 70.0 nM 10.1021/jm0495881
Homo sapiens Alpha-galactosidase A Potency 28183.8 nM None
Homo sapiens Alpha-L-fucosidase I Inhibition 50.0 % 10.1021/jm0495881
Homo sapiens Alpha-L-fucosidase I Ki 34000000.0 nM 10.1016/S0960-894X(00)80649-6
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Arachidonate 15-lipoxygenase Potency 15848.9 nM None
Homo sapiens Beta-galactosidase FC 1.1 None 10.1021/jm301557k
Homo sapiens Beta-galactosidase FC 2.0 None 10.1021/jm301557k
Homo sapiens Beta-galactosidase IC50 90000.0 nM 10.1021/jm0495881
Homo sapiens Beta-galactosidase Inhibition 89.0 % 10.1016/j.ejmech.2016.07.025
Homo sapiens Beta-glucocerebrosidase Activity nan None 10.1016/S0960-894X(00)80648-4
Homo sapiens Beta-glucocerebrosidase Inhibition 10.0 % 10.1016/j.ejmech.2016.07.025
Homo sapiens Beta-glucocerebrosidase Potency 1422.0 nM None
Homo sapiens Beta-glucocerebrosidase Potency 5011.9 nM None
Homo sapiens Beta-glucosidase IC50 100000.0 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 Bile salt export pump AC50 300000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Ceramide glucosyltransferase IC50 100000.0 nM 10.1021/jm901281m
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 39810.7 nM None
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Epididymis-specific alpha-mannosidase Inhibition 50.0 % 10.1021/jm0495881
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glycogen debranching enzyme IC50 10000.0 nM 10.1021/jm901281m
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Lactase-phlorizin hydrolase IC50 50000.0 nM 10.1021/jm901281m
Homo sapiens Lysosomal alpha-glucosidase IC50 6000.0 nM 10.1021/jm901281m
Homo sapiens Lysosomal alpha-glucosidase Inhibition 10.0 % 10.1016/j.ejmech.2016.07.025
Homo sapiens Lysosomal alpha-glucosidase Potency 63.1 nM None
Homo sapiens Lysosomal alpha-glucosidase Potency 82.3 nM None
Homo sapiens Lysosomal alpha-glucosidase Potency 10000.0 nM None
Homo sapiens Lysosomal alpha-mannosidase Inhibition 50.0 % 10.1021/jm0495881
Homo sapiens Maltase-glucoamylase IC50 1500.0 nM 10.1021/jm901281m
Homo sapiens Maltase-glucoamylase Inhibition 50.0 % 10.1021/jm0495881
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 39810.7 nM None
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neutral alpha-glucosidase AB Activity nan None 10.1016/S0960-894X(00)80648-4
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Sucrase-isomaltase IC50 260.0 nM 10.1021/jm901281m
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Mus musculus Mus musculus FC 1.7 None 10.1021/jm301557k
Mus musculus Mus musculus FC 1.8 None 10.1021/jm301557k
Mus musculus Mus musculus FC 2.0 None 10.1021/jm301557k
Mus musculus Mus musculus FC 3.1 None 10.1021/jm301557k
Mus musculus Mus musculus FC 4.0 None 10.1021/jm301557k
Mus musculus Mus musculus FC 7.1 None 10.1021/jm301557k
Mus musculus Mus musculus FC 18.0 None 10.1021/jm301557k
Mus musculus Mus musculus FC 28.0 None 10.1021/jm301557k
Oryza sativa Japonica Group Alpha-glucosidase Inhibition 50.0 % 10.1021/jm0495881
Oryza sativa Japonica Group Probable alpha-glucosidase Os06g0675700 Inhibition 50.0 % 10.1016/j.bmc.2010.04.048
Rattus norvegicus Beta-galactosidase IC50 24000.0 nM 10.1021/jm0495881
Rattus norvegicus Beta-mannosidase Inhibition 50.0 % 10.1016/j.bmc.2010.04.048
Rattus norvegicus Beta-mannosidase Inhibition 50.0 % 10.1021/jm0495881
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Lactase-glycosylceramidase IC50 72000.0 nM 10.1016/j.bmc.2010.04.048
Rattus norvegicus Sucrase-isomaltase Inhibition 50.0 % 10.1021/jm0495881
Rattus norvegicus Synaptic vesicular amine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1151 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1704 None 10.1101/2020.04.21.054387
Sinorhizobium meliloti Beta-galactosidase Ki 12500.0 nM 10.1016/j.bmcl.2006.01.095
Sus scrofa Uncharacterized protein Inhibition 50.0 % 10.1016/j.bmc.2010.04.048
None Lymphocyte CC50 200000.0 nM 10.1016/j.ejmech.2016.10.004
None NON-PROTEIN TARGET CC50 200000.0 nM 10.1016/j.ejmech.2016.07.025
None Unchecked FC 1.7 None 10.1016/j.ejmech.2020.112173
None Unchecked IC50 3.0 nM 10.1021/jm0495881
None Unchecked IC50 80.0 nM 10.1016/j.ejmech.2016.09.095
None Unchecked IC50 90000.0 nM 10.1039/c9md00559e
None Unchecked IC50 350000.0 nM 10.1021/jm901281m
None Unchecked Inhibition 10.0 % 10.1016/j.ejmech.2016.07.025
None Unchecked Inhibition 50.0 % 10.1016/j.bmc.2010.04.048
None Unchecked Ki 100000.0 nM 10.1016/j.bmc.2008.10.054
None Unchecked Ki 100000.0 nM 10.1016/j.bmcl.2010.05.084

Metabolism Information