| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 18 | Yes |
Popular Name: Voglibose Voglibose
Find On: PubMed — Wikipedia — Google
CAS Numbers: 83480-29-9 , [83480-29-9]
(1S,2S,3R,4S)-5-(2-Hydroxy-1-hydroxymethyl-ethylamino)-1-hydroxymethyl-cyclohexane-1,2,3,4-tetraol
(1S,2S,3R,4S,5S)-5-(1,3-dihydroxypropan-2-ylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
3,4-Dideoxy-4-{[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-2-D-epi-inositol
83480-29-9; Basen (TN); D01665; Voglibose (JP16/USAN/INN)
Basen (Takeda Chemical Industries)
| 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) | -3.98 | -11.18 | -31.61 | 9 | 8 | 1 | 158 | 268.286 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.90e+02 g/l | DrugBank-approved |
| Purity | 99% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0004577A2; EP0006205A1; EP0007572A1; EP0013891A1; EP0015523A1; EP0018542A1; EP0018568A2; EP0020995A1; EP0021207A1; EP0021382A1; EP0023683A1; EP0025984A1; EP0028685A2; EP0029480A1; EP0031138A1; EP0031915A1; EP0032554A2; EP0035219A1; EP0040392A2; EP004082 | IBM Patent Data |
| biological_use | Oral antidiabetic agent | IBScreen Bioactives |
| Target | Others | Selleck Chemicals |
| mechanism | Potent alpha-glucosidase inhibitor | IBScreen Bioactives |
| biological_source | Produced by Streptomyces hygroscopicus-limoneus | ZereneX Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LYAG-1-E | Alpha-glucosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 200 | 0.52 | Binding ≤ 10μM |
| SUIS-1-E | Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 70 | 0.56 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LYAG_RAT | Q6P7A9 | Acidic Alpha-glucosidase, Rat | 110 | 0.54 | Binding ≤ 1μM |
| LYAG_HUMAN | P10253 | Lysosomal Alpha-glucosidase, Human | 70 | 0.56 | Binding ≤ 1μM |
| SUIS_RAT | P23739 | Sucrase-isomaltase, Rat | 160 | 0.53 | Binding ≤ 1μM |
| LYAG_RAT | Q6P7A9 | Acidic Alpha-glucosidase, Rat | 110 | 0.54 | Binding ≤ 10μM |
| LYAG_HUMAN | P10253 | Lysosomal Alpha-glucosidase, Human | 5600 | 0.41 | Binding ≤ 10μM |
| SUIS_RAT | P23739 | Sucrase-isomaltase, Rat | 1200 | 0.46 | Binding ≤ 10μM |
