Compound Detail
CHEMBL1651633
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Basic Information
| ChEMBL ID | CHEMBL1651633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXPLUAKSZJTQBC-IYWMVGAKSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
375.6
MW (Da)
1.68
ALogP
6
HBA
4
HBD
93.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucosidase CHEMBL3761 | IC50 | 7.47 | 7.435 | 34.0 | 2 |
| Ceramide glucosyltransferase CHEMBL6013 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Sucrase-isomaltase CHEMBL1667666 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Lysosomal alpha-glucosidase CHEMBL1667668 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucosidase | IC50 | = | 34.0 | nM | 7.47 | Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substr... | 31075609 |
| Beta-glucosidase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of recombinant GBA2 preincubated with compound for 30 mins using 4-me... | 24900289 |
| Ceramide glucosyltransferase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of glucosylceramide synthase in mouse RAW cells preincubated with com... | 24900289 |
| Lysosomal acid glucosylceramidase | IC50 | = | 500.0 | nM | 6.3 | Inhibition of recombinant GBA1 preincubated with compound for 30 mins using 4-me... | 24900289 |
| Sucrase-isomaltase | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of sucrase in mouse intestinal input by glucose release assay | 24900289 |
| Lysosomal alpha-glucosidase | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of maltase in mouse intestinal input by glucose release assay | 24900289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31075609 | 10.1016/j.ejmech.2019.04.061 | Beta-glucosidase | 2 |
| 31075609 | 10.1016/j.ejmech.2019.04.061 | Lysosomal acid glucosylceramidase | 2 |
| 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 |
| 24900289 | 10.1021/ml100192b | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine