Compound Detail
CHEMBL55401
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Basic Information
| ChEMBL ID | CHEMBL55401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTXFRDAVOASSRM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
333.2
MW (Da)
4.79
ALogP
3
HBA
0
HBD
16.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 9.1 | 8.7867 | 0.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 0.8 | nM | 9.1 | Inhibition constant for amyloid beta compared to [125I]TZDM | 11384236 |
| Amyloid-beta precursor protein | Ki | = | 1.9 | nM | 8.72 | Inhibition constant for amyloid beta compared to [125I]TZDM | 11384236 |
| Amyloid-beta precursor protein | Ki | = | 2.9 | nM | 8.54 | Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-... | 12801237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384236 | 10.1021/jm010045q | Amyloid-beta precursor protein | 4 |
| 12801237 | 10.1021/jm030026b | Unchecked | 3 |
| 12801237 | 10.1021/jm030026b | No relevant target | 1 |
| 12801237 | 10.1021/jm030026b | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine