Compound Detail
CHEMBL260291
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Basic Information
| ChEMBL ID | CHEMBL260291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGJIKOYRDPOIMG-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
2.73
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.74
Ki 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | Ki | 6.92 | 6.92 | 121.0 | 1 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 6.74 | 6.74 | 183.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | Ki | = | 121.0 | nM | 6.92 | Inhibition of recombinant wild-type glucocerebrosidase | 17670938 |
| Lysosomal acid glucosylceramidase | IC50 | = | 183.0 | nM | 6.74 | Inhibition of recombinant wild-type glucocerebrosidase | 17670938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17670938 | 10.1073/pnas.0705637104 | Lysosomal acid glucosylceramidase | 5 |
Data from ChEMBL 36 via Core Engine