Compound Detail
CHEMBL69671
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Basic Information
| ChEMBL ID | CHEMBL69671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHSNMHSCQWZKAA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
409.2
MW (Da)
4.40
ALogP
3
HBA
0
HBD
20.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 7.39 | 7.39 | 41.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | Ki | = | 40.0 | nM | 7.4 | Binding affinity to displace radiolabeled [125-I] TZDM human AD brain homogenate... | 15084119 |
| Amyloid-beta precursor protein | Ki | = | 41.0 | nM | 7.39 | Binding affinity to human beta amyloid plaque in alzheimer's disease patient bra... | 17722900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084119 | 10.1021/jm030477w | Mus musculus | 5 |
| 15084119 | 10.1021/jm030477w | No relevant target | 1 |
| 15084119 | 10.1021/jm030477w | Homo sapiens | 1 |
| 17722900 | 10.1021/jm0702231 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine