Compound Detail
CHEMBL5759325
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Basic Information
| ChEMBL ID | CHEMBL5759325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNIYJHDOBMNALK-BWZBUEFSSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
169.2
MW (Da)
-0.35
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.17
Ki 2 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 8.17 | 8.17 | 6.8 | 2 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | Ki | 8.12 | 8.12 | 7.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | IC50 | = | 6.8 | nM | 8.17 | Assay for Determination of Ki Values for Inhibition of GCase Activity: Various c... | - |
| Lysosomal acid glucosylceramidase | IC50 | = | 6.8 | nM | 8.17 | Inhibition Assay: Various concentrations of test compounds were prepared in DMSO... | - |
| Lysosomal acid glucosylceramidase | Ki | = | 7.6 | nM | 8.12 | Assay for Determination of Ki Values for Inhibition of GCase Activity: Various c... | - |
| Lysosomal acid glucosylceramidase | Ki | = | 7.6 | nM | 8.12 | Inhibition Assay: Various concentrations of test compounds were prepared in DMSO... | - |
Data from ChEMBL 36 via Core Engine