Compound Detail
CHEMBL570378
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Basic Information
| ChEMBL ID | CHEMBL570378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYTAUNFPOYWHBC-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
3.11
ALogP
5
HBA
2
HBD
58.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Kd 1 meas. best 8.08
Ki 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | Kd | 8.08 | 8.08 | 8.4 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 1.7 | nM | 8.77 | Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain... | 19845387 |
| Amyloid-beta precursor protein | Kd | = | 8.4 | nM | 8.08 | Displacement of [3H]PIB from human amyloid beta (1 to 40) fibrils after 3 hrs by... | 28128562 |
| Amyloid-beta precursor protein | IC50 | = | 22.0 | nM | 7.66 | Displacement of [3H]AZD2184 from human amyloid beta(1 to 40) | 22647721 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19845387 | 10.1021/jm901039z | Amyloid-beta precursor protein | 1 |
| 22647721 | 10.1016/j.bmcl.2012.05.011 | Amyloid-beta precursor protein | 1 |
| 28128562 | 10.1021/acs.jnatprod.6b00643 | Amyloid-beta precursor protein | 1 |
| 28128562 | 10.1021/acs.jnatprod.6b00643 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine