Compound Detail
CHEMBL1774643
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Basic Information
| ChEMBL ID | CHEMBL1774643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KURYQCQHBNVSLU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
272.4
MW (Da)
4.17
ALogP
3
HBA
0
HBD
16.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 9.52 | 8.875 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 0.3 | nM | 9.52 | Displacement of [3H]PIB from amyloid beta (1 to 42) aggregates in Alzheimer's di... | 21478020 |
| Amyloid-beta precursor protein | Ki | = | 5.9 | nM | 8.23 | Displacement of [125I]TZDM from amyloid beta (1 to 42) aggregates in Alzheimer's... | 21478020 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21478020 | 10.1016/j.bmc.2011.03.029 | Amyloid-beta precursor protein | 2 |
| 21478020 | 10.1016/j.bmc.2011.03.029 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine