Compound Detail
CHEMBL3672918
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Basic Information
| ChEMBL ID | CHEMBL3672918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEDBRPQZTWTMTK-KRWDZBQOSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
1.19
ALogP
6
HBA
3
HBD
128.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 2 CHEMBL2525 | Ki | 8.31 | 8.31 | 4.8 | 4 |
| Beta-secretase 1 CHEMBL4822 | Ki | 8.0 | 8.0 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 2 | Ki | = | 4.85 | nM | 8.31 | HTRF FRET Assay: Inhibitor IC50s at purified human autoBACE-2 were determined in... | - |
| Beta-secretase 2 | Ki | = | 4.85 | nM | 8.31 | HTRF assay: Inhibitor IC50s at purified human autoBACE-2 were determined in a ti... | - |
| Beta-secretase 2 | Ki | = | 4.85 | nM | 8.31 | HTRF assay: Inhibitor IC50s at purified human autoBACE-2 were determined in a ti... | - |
| Beta-secretase 2 | Ki | = | 4.85 | nM | 8.31 | HTRF FRET Assay: Inhibitor IC50s at purified human autoBACE-2 were determined in... | - |
| Beta-secretase 1 | Ki | = | 10.0 | nM | 8.0 | Homogeneous Time-Resolved FRET Assay: The protocol that was used to determine th... | - |
| Beta-secretase 1 | Ki | = | 10.0 | nM | 8.0 | HTRF FRET Assay: A homogeneous time-resolved FRET assay was used to determine IC... | - |
Data from ChEMBL 36 via Core Engine