Compound Detail
CHEMBL5197068
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Basic Information
| ChEMBL ID | CHEMBL5197068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJDWAILCLZWRIP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
5.92
ALogP
5
HBA
1
HBD
53.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Kd | 5.42 | 5.31 | 3780.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Kd | = | 3780.0 | nM | 5.42 | Binding affinity to amyloid beta (1 to 42) (unknown origin) fibrils | 35759679 |
| Amyloid-beta precursor protein | Kd | = | 6270.0 | nM | 5.2 | Binding affinity to amyloid beta (1 to 40) (unknown origin) fibrils | 35759679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35759679 | 10.1021/acs.jmedchem.1c01619 | Amyloid-beta precursor protein | 2 |
Data from ChEMBL 36 via Core Engine