General Information of the Compound
Compound ID
CP0053508
Compound Name
(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
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Synonyms
(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
Bay-m-1099
Diastabol
Glyset
Glyset (TN)
Miglitol
Miglitol (JAN/USAN/INN)
Plumarol
SK-983
Seibule
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Structure
Formula
C8H17NO5
Molecular Weight
207.226
Canonical SMILES
OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
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InChI
InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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InChIKey
IBAQFPQHRJAVAV-ULAWRXDQSA-N
CAS
72432-03-2
Physicochemical Property
logP
-3.2621
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
104.39
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
6
Complexity
14

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 441314
SID: 12013518
ChEMBL ID
CHEMBL1561
DrugBank ID
DB00491
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01904, Lysosomal alpha-glucosidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000034 Caco-2 Homo sapiens (Human)  1
1
IC50 = 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 350 nM
2 IC50 = 2000 nM
Clinical Information about the Compound
Drug 1 ( Miglitol )
Drug Name Miglitol
Indication
Diabetic complication
Approved
Target(s)
Intestinal maltase-glucoamylase (MGAM)
Inhibitor