Compound Detail
CHEMBL573995
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OC[C@H]1O[C@@H]2[C@@H](NCCCCCOCC34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL573995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGDRWZWRUHQHID-YHLAAFEASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.6
MW (Da)
1.46
ALogP
6
HBA
4
HBD
91.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of human GBA1 | 19853441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19853441 | 10.1016/j.bmcl.2009.10.022 | Unchecked | 5 |
| 19853441 | 10.1016/j.bmcl.2009.10.022 | Beta-glucosidase | 1 |
| 19853441 | 10.1016/j.bmcl.2009.10.022 | Lysosomal alpha-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine