Compound Detail
CHEMBL2296467
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Basic Information
| ChEMBL ID | CHEMBL2296467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKXLYNJCGQGQHT-WOJGMQOQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
4.12
ALogP
5
HBA
0
HBD
37.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 8.36 | 8.36 | 4.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 4.38 | nM | 8.36 | Displacement of [3H]IMPY from beta amyloid (unknown origin) isolated from alzhei... | - |
| Amyloid-beta precursor protein | Ki | = | 4.38 | nM | 8.36 | Binding affinity to amyloid beta (1 to 40) (unknown origin) fibrils | 35759679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0416-0 | Amyloid-beta precursor protein | 2 |
| 35759679 | 10.1021/acs.jmedchem.1c01619 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine