Compound Detail
CHEMBL236275
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Basic Information
| ChEMBL ID | CHEMBL236275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDVVBLXWYYYPSQ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.8
MW (Da)
2.27
ALogP
7
HBA
3
HBD
86.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.2
Ki 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | Ki | 5.37 | 5.37 | 4230.0 | 1 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 5.2 | 5.155 | 6340.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | Ki | = | 4230.0 | nM | 5.37 | Inhibition of recombinant wild-type glucocerebrosidase | 17670938 |
| Lysosomal acid glucosylceramidase | IC50 | = | 6340.0 | nM | 5.2 | Inhibition of glucocerebrosidase | 17827006 |
| Lysosomal acid glucosylceramidase | IC50 | = | 7730.0 | nM | 5.11 | Inhibition of recombinant wild-type glucocerebrosidase | 17670938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17670938 | 10.1073/pnas.0705637104 | Lysosomal acid glucosylceramidase | 5 |
| 17827006 | 10.1016/j.bmcl.2007.08.050 | Lysosomal acid glucosylceramidase | 1 |
Data from ChEMBL 36 via Core Engine