| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 14 | Yes |
Popular Name: Miglitol Miglitol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2432-03-2 , 72432-03-2 , [72432-03-2]
(2R,3R,4R,5S)-1-(2-Hydroxy-ethyl)-2-hydroxymethyl-piperidine-3,4,5-triol
(2R,3R,4R,5S)-1-(2-Hydroxyethyl)-2-(hydroxymethyl)-3,4,5-piperidinetriol
(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
1,5-dideoxy-1,5-[(2-hydroxyethyl)imino]-D-glucitol
72432-03-2; D00625; Glyset (TN); Miglitol (JAN/USAN/INN)
CPD000466381; MIGLITOL; SAM001246745
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -2.79 | -9.08 | -33.07 | 6 | 6 | 1 | 106 | 208.234 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.79 | -8.62 | -44.04 | 5 | 6 | 0 | 108 | 207.226 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 6.10e+02 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| mechanism | alpha- and beta-Glucosidase inhibitor | IBScreen Bioactives |
| Indications | antidiabetic | KeyOrganics Bioactives |
| biological_use | Antidiabetic used in the management of diabetes mellitus | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP06560m | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP06560m | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GDE-1-E | Glycogen Debranching Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 390 | 0.64 | Binding ≤ 10μM |
| LYAG-1-E | Alpha-glucosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 590 | 0.62 | Binding ≤ 10μM |
| MGA-1-E | Maltase-glucoamylase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6000 | 0.52 | Binding ≤ 10μM |
| SUIS-1-E | Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1200 | 0.59 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LYAG_RAT | Q6P7A9 | Acidic Alpha-glucosidase, Rat | 590 | 0.62 | Binding ≤ 1μM |
| GDE_RABIT | P35574 | Glycogen Debranching Enzyme, Rabit | 390 | 0.64 | Binding ≤ 1μM |
| LYAG_HUMAN | P10253 | Lysosomal Alpha-glucosidase, Human | 1000 | 0.60 | Binding ≤ 1μM |
| MGA_HUMAN | O43451 | Maltase-glucoamylase, Human | 1000 | 0.60 | Binding ≤ 1μM |
| SUIS_RAT | P23739 | Sucrase-isomaltase, Rat | 1000 | 0.60 | Binding ≤ 1μM |
| SUIS_HUMAN | P14410 | Sucrase-isomaltase, Human | 500 | 0.63 | Binding ≤ 1μM |
| LYAG_RAT | Q6P7A9 | Acidic Alpha-glucosidase, Rat | 1300 | 0.59 | Binding ≤ 10μM |
| GDE_RABIT | P35574 | Glycogen Debranching Enzyme, Rabit | 390 | 0.64 | Binding ≤ 10μM |
| LYAG_HUMAN | P10253 | Lysosomal Alpha-glucosidase, Human | 1000 | 0.60 | Binding ≤ 10μM |
| MGA_HUMAN | O43451 | Maltase-glucoamylase, Human | 1000 | 0.60 | Binding ≤ 10μM |
| SUIS_RAT | P23739 | Sucrase-isomaltase, Rat | 1000 | 0.60 | Binding ≤ 10μM |
| SUIS_HUMAN | P14410 | Sucrase-isomaltase, Human | 500 | 0.63 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Digestion of dietary carbohydrate |
