Compound Detail
CHEMBL1361379
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Basic Information
| ChEMBL ID | CHEMBL1361379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQARUVRGOHJYJX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
5.02
ALogP
6
HBA
0
HBD
66.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 6.55 | 6.0267 | 280.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | IC50 | = | 280.0 | nM | 6.55 | Inhibition of wild type glucocerebrosidase in human spleen homogenate using 4-me... | 22646221 |
| Lysosomal acid glucosylceramidase | IC50 | = | 330.0 | nM | 6.48 | Inhibition of glucocerebrosidase N370S mutant in Gaucher patient spleen homogena... | 22646221 |
| Lysosomal acid glucosylceramidase | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of wild type glucocerebrosidase using 4-methylumbellifereno-Glc as su... | 22646221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21250698 | 10.1021/jm1008902 | Lysosomal acid glucosylceramidase | 13 |
| 22646221 | 10.1021/jm300063b | Lysosomal acid glucosylceramidase | 4 |
| 21250698 | 10.1021/jm1008902 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine