Compound Detail
CHEMBL594574
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Basic Information
| ChEMBL ID | CHEMBL594574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZJRHAXQMHTCSW-JXMROGBWSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
4.96
ALogP
5
HBA
0
HBD
63.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Kd 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Kd | 6.96 | 6.96 | 110.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 110.0 | nM | 6.96 | Inhibition of amyloid beta (1-42) aggregation by thioflavin T competition bindin... | 19740669 |
| Amyloid-beta precursor protein | Kd | = | 110.0 | nM | 6.96 | Binding affinity to amyloid beta (1 to 42) (unknown origin) fibrils | 35759679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19740669 | 10.1016/j.bmc.2009.08.032 | Unchecked | 3 |
| 19740669 | 10.1016/j.bmc.2009.08.032 | Amyloid-beta precursor protein | 2 |
| 35759679 | 10.1021/acs.jmedchem.1c01619 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine