Compound Detail
CHEMBL5562071
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Basic Information
| ChEMBL ID | CHEMBL5562071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBWQUDPTHTZTJA-SFHVURJKSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
3.32
ALogP
3
HBA
1
HBD
63.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.05
Kd 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | Kd | 7.3 | 7.3 | 50.0 | 1 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | EC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | Kd | = | 50.0 | nM | 7.3 | Binding affinity to human Avi/10-his tagged GCase (40 to 536 residues) expressed... | 38932616 |
| Lysosomal acid glucosylceramidase | EC50 | = | 9000.0 | nM | 5.05 | Positive allosteric modulation of GCase in human Fibroblast cells using GBA1-FQ2... | 38932616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38932616 | 10.1021/acs.jmedchem.4c00702 | Lysosomal acid glucosylceramidase | 4 |
Data from ChEMBL 36 via Core Engine