Compound Detail
CHEMBL4159496
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Basic Information
| ChEMBL ID | CHEMBL4159496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHIJNTSLVBETPY-SOFGYWHQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
2.21
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | EC50 | 4.26 | 4.26 | 54800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | EC50 | = | 54800.0 | nM | 4.26 | Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation aft... | 28759879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28759879 | 10.1016/j.ejmech.2017.07.026 | Unchecked | 2 |
| 28759879 | 10.1016/j.ejmech.2017.07.026 | No relevant target | 2 |
| 28759879 | 10.1016/j.ejmech.2017.07.026 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine