Compound Detail
CHEMBL5747717
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Basic Information
| ChEMBL ID | CHEMBL5747717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQRKAIXNIOZZEN-SFHVURJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.4
MW (Da)
2.68
ALogP
7
HBA
3
HBD
124.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 2 CHEMBL2525 | Ki | 9.09 | 9.09 | 0.8 | 1 |
| Beta-secretase 1 CHEMBL4822 | Ki | 8.55 | 8.55 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 2 | Ki | = | 0.81 | nM | 9.09 | BACE-2 Assay: Inhibitor IC50s, at purified human autoBACE-2 are determined in a ... | - |
| Beta-secretase 1 | Ki | = | 2.8 | nM | 8.55 | BACE-1 Ki Assay (BACE-1 HTRF FRET Assay): The following reagents were used in th... | - |
Data from ChEMBL 36 via Core Engine