Compound Detail
CHEMBL5555347
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Basic Information
| ChEMBL ID | CHEMBL5555347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDMMCFWFSJXQMU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
0.62
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | Kd | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | Kd | = | 100000.0 | nM | 4.0 | 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