Compound Detail
CHEMBL307429
DUVOGLUSTAT 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL307429 |
| Name | DUVOGLUSTAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LXBIFEVIBLOUGU-JGWLITMVSA-N |
36
Targets
200
Activities
3
Assay Types
3
PK Parameters
20
Publications
12
Known Names
Molecular Properties
163.2
MW (Da)
-2.97
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 168 meas. best 7.52
Ki 30 meas. best 7.85
EC50 2 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutral alpha-glucosidase AB CHEMBL2519 | Ki | 7.85 | 5.9925 | 14.0 | 4 |
| Unchecked CHEMBL612545 | Ki | 7.77 | 5.87 | 17.0 | 8 |
| Sucrase-isomaltase, intestinal CHEMBL3114 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Alpha-glucosidase CHEMBL5280 | IC50 | 7.52 | 7.41 | 30.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.52 | 5.3753 | 30.0 | 38 |
| Maltase-glucoamylase CHEMBL2074 | IC50 | 7.4 | 6.096 | 40.0 | 5 |
| Lysosomal alpha-glucosidase CHEMBL2608 | Ki | 7.23 | 6.47 | 59.0 | 4 |
| Lysosomal alpha-glucosidase CHEMBL2608 | IC50 | 7.22 | 5.78 | 60.0 | 5 |
| Acidic alpha-glucosidase CHEMBL3513 | IC50 | 6.89 | 6.23 | 130.0 | 7 |
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 6.8 | 6.5086 | 160.0 | 14 |
| Glycogen debranching enzyme CHEMBL5273 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Neutral alpha-glucosidase C CHEMBL3635 | IC50 | 6.52 | 5.495 | 300.0 | 2 |
| Alpha-glucosidase CHEMBL2974 | IC50 | 6.4 | 5.54 | 400.0 | 2 |
| Neutral alpha-glucosidase AB CHEMBL2519 | IC50 | 5.89 | 5.245 | 1300.0 | 2 |
| Alpha-glucosidase CHEMBL4412 | IC50 | 5.78 | 5.78 | 1670.0 | 1 |
| Sucrase-isomaltase, intestinal CHEMBL2748 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| MS-1 CHEMBL2366125 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | Ki | 5.7 | 4.71 | 2000.0 | 3 |
| HUVEC CHEMBL613979 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Beta-glucosidase CHEMBL4192 | Ki | 5.02 | 5.02 | 9500.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Glycogen debranching enzyme CHEMBL5272 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Beta-glucosidase CHEMBL4663 | Ki | 4.92 | 4.92 | 12000.0 | 2 |
| Alpha-galactosidase A CHEMBL2524 | Ki | 4.75 | 4.75 | 18000.0 | 1 |
| Beta-glucosidase CHEMBL3761 | IC50 | 4.7 | 4.61 | 20000.0 | 4 |
| Alpha-galactosidase CHEMBL5217 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.59 | 4.59 | 25620.0 | 1 |
| T-cell CHEMBL614309 | IC50 | 4.59 | 4.59 | 25620.0 | 1 |
| Tissue alpha-L-fucosidase CHEMBL4176 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| Lactase/phlorizin hydrolase CHEMBL3389 | IC50 | 4.58 | 4.485 | 26000.0 | 4 |
| Alpha-glucosidase CHEMBL5291954 | IC50 | 4.58 | 4.38 | 26400.0 | 3 |
| Beta-galactosidase CHEMBL2680 | IC50 | 4.57 | 4.545 | 27000.0 | 2 |
| Alpha glucosidase CHEMBL3833502 | IC50 | 4.4 | 4.4 | 39500.0 | 1 |
| Trehalase CHEMBL3087 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Trehalase CHEMBL3248 | IC50 | 4.39 | 4.3825 | 41000.0 | 4 |
| Uncharacterized protein CHEMBL2176863 | IC50 | 4.39 | 4.39 | 41000.0 | 2 |
| Beta-glucosidase A CHEMBL4622 | IC50 | 4.26 | 4.13 | 55000.0 | 2 |
| Lactase/phlorizin hydrolase CHEMBL1075131 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
| Cytosolic beta-glucosidase CHEMBL3865 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
| Beta-glucosidase CHEMBL4192 | IC50 | 4.09 | 4.09 | 81000.0 | 1 |
| Lysosomal alpha-glucosidase CHEMBL1667668 | EC50 | 4.0 | 4.0 | 98800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 210000.0 | M-1 | - |
| T1/2 | 0.08 | hr | Rattus norvegicus |
| T1/2 | - | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine