Compound Detail
CHEMBL5559958
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Basic Information
| ChEMBL ID | CHEMBL5559958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUYDDKACDVJNLC-CQSZACIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
1.80
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | Kd | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | Kd | = | 3000.0 | nM | 5.52 | Binding affinity to human Avi/10-his tagged GCase (40 to 536 residues) expressed... | 38932616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38932616 | 10.1021/acs.jmedchem.4c00702 | Lysosomal acid glucosylceramidase | 1 |
Data from ChEMBL 36 via Core Engine