Compound Detail
CHEMBL262347
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Basic Information
| ChEMBL ID | CHEMBL262347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPDJPMXCUKNYCN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.18
ALogP
6
HBA
1
HBD
92.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.53
Ki 1 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 5.53 | 5.53 | 2960.0 | 1 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | Ki | 5.07 | 5.07 | 8440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | IC50 | = | 2960.0 | nM | 5.53 | Inhibition of recombinant wild-type glucocerebrosidase | 17670938 |
| Lysosomal acid glucosylceramidase | Ki | = | 8440.0 | nM | 5.07 | 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