Compound Detail
CHEMBL221118
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Basic Information
| ChEMBL ID | CHEMBL221118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSHSZKRWKLQZBV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.93
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 94000.0 | nM | 4.03 | Inhibition of BACE1 | 17315857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17315857 | 10.1021/jm061197u | Beta-secretase 1 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine