Compound Detail
CHEMBL91449
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Basic Information
| ChEMBL ID | CHEMBL91449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDXCWXZECJHKRF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
3.73
ALogP
4
HBA
1
HBD
36.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 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 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 4.4 | nM | 8.36 | Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-... | 12801237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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