Compound Detail
CHEMBL1651549
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Basic Information
| ChEMBL ID | CHEMBL1651549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCZQIIVHWYFIPW-LMLFDSFASA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
-1.06
ALogP
5
HBA
4
HBD
84.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.4
Ki 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal alpha-glucosidase CHEMBL2608 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Beta-glucosidase CHEMBL3761 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Sucrase-isomaltase CHEMBL1667666 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Lysosomal alpha-glucosidase CHEMBL1667668 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal alpha-glucosidase | Ki | = | 210.0 | nM | 6.68 | Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as su... | 35072486 |
| Beta-glucosidase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of recombinant GBA2 preincubated with compound for 30 mins using 4-me... | 24900289 |
| Sucrase-isomaltase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of sucrase in mouse intestinal input by glucose release assay | 24900289 |
| Lysosomal alpha-glucosidase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of maltase in mouse intestinal input by glucose release assay | 24900289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900289 | 10.1021/ml100192b | Unchecked | 1 |
| 24900289 | 10.1021/ml100192b | Lysosomal alpha-glucosidase | 1 |
| 24900289 | 10.1021/ml100192b | Beta-galactosidase | 1 |
| 24900289 | 10.1021/ml100192b | Sucrase-isomaltase | 1 |
| 24900289 | 10.1021/ml100192b | Beta-glucosidase | 1 |
| 24900289 | 10.1021/ml100192b | Lysosomal acid glucosylceramidase | 1 |
| 24900289 | 10.1021/ml100192b | Ceramide glucosyltransferase | 1 |
| 35072486 | 10.1021/acs.jmedchem.1c01673 | Lysosomal alpha-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine