Compound Detail
CHEMBL5866388
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Basic Information
| ChEMBL ID | CHEMBL5866388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRBDLUPMMVCGBJ-INIZCTEOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
1.24
ALogP
7
HBA
3
HBD
120.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | Ki | 7.32 | 6.455 | 48.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | Ki | = | 48.0 | nM | 7.32 | BACE-1 Ki Assay (BACE-1 HTRF FRET Assay): The following reagents were used in th... | - |
| Beta-secretase 1 | Ki | = | 2592.0 | nM | 5.59 | BACE-1 Ki Assay (BACE-1 HTRF FRET Assay): The following reagents were used in th... | - |
Data from ChEMBL 36 via Core Engine