Compound Detail
CHEMBL5170177
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Basic Information
| ChEMBL ID | CHEMBL5170177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAAOEKKXMBNJTE-KQQUZDAGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
2.59
ALogP
5
HBA
0
HBD
55.8
PSA (Ų)
0.27
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 6.19 | 6.19 | 652.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.19 | 6.19 | 645.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 645.2 | nM | 6.19 | Binding affinity to amyloid beta (unknown origin) | 35759679 |
| Amyloid-beta precursor protein | Ki | = | 652.0 | nM | 6.19 | Displacement of [125I]IMPY from amyloid beta (1 to 42) (unknown origin) measured... | 35759679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35759679 | 10.1021/acs.jmedchem.1c01619 | Unchecked | 1 |
| 35759679 | 10.1021/acs.jmedchem.1c01619 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine