Compound Detail
CHEMBL247666
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Basic Information
| ChEMBL ID | CHEMBL247666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPYQWYTVWZBEHS-FSDSQADBSA-N |
4
Targets
13
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
177.2
MW (Da)
-2.62
ALogP
5
HBA
4
HBD
84.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen debranching enzyme CHEMBL5272 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.46 | 12000.0 | 2 |
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 4.16 | 4.12 | 70000.0 | 2 |
| Alpha-glucosidase MAL62 CHEMBL4357 | IC50 | 4.11 | 4.11 | 78000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen debranching enzyme | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of amylo-1,6-glucosidase | 18258441 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of yeast isomaltase alpha-glucosidase assessed as p-nitrophenol relea... | 11858756 |
| Sucrase-isomaltase, intestinal | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of rat isomaltase | 18258441 |
| Alpha-glucosidase MAL62 | IC50 | = | 78000.0 | nM | 4.11 | Inhibition of yeast maltase alpha-glucosidase assessed as p-nitrophenol release ... | 11858756 |
| Sucrase-isomaltase, intestinal | IC50 | = | 84000.0 | nM | 4.08 | Inhibition of rat intestinal isomaltase assessed as glucose release by Glucose B... | 11858756 |
| Unchecked | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of rabbit muscle glycogen phosphorylase b | 18258441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11858756 | 10.1021/np010360f | Unchecked | 5 |
| 18258441 | 10.1016/j.bmc.2008.01.032 | Sucrase-isomaltase, intestinal | 3 |
| 18258441 | 10.1016/j.bmc.2008.01.032 | Unchecked | 2 |
| 11858756 | 10.1021/np010360f | Sucrase-isomaltase, intestinal | 2 |
| 18258441 | 10.1016/j.bmc.2008.01.032 | Glycogen debranching enzyme | 1 |
| 11858756 | 10.1021/np010360f | Uncharacterized protein | 1 |
| 11858756 | 10.1021/np010360f | Beta-mannosidase | 1 |
| 11858756 | 10.1021/np010360f | Beta-galactosidase | 1 |
| 11858756 | 10.1021/np010360f | Tissue alpha-L-fucosidase | 1 |
| 11858756 | 10.1021/np010360f | Alpha-galactosidase | 1 |
| 11858756 | 10.1021/np010360f | Acidic alpha-glucosidase | 1 |
| 11858756 | 10.1021/np010360f | Alpha-glucosidase MAL62 | 1 |
Data from ChEMBL 36 via Core Engine