Compound Detail
CHEMBL5182263
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Basic Information
| ChEMBL ID | CHEMBL5182263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMPBSQPFNJARHJ-UHFFFAOYSA-M |
| Parent Compound | CHEMBL5221478 |
| Active Moiety | CHEMBL5221478 |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
3.81
ALogP
2
HBA
0
HBD
16.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Kd | 5.37 | 5.03 | 4290.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Kd | = | 4290.0 | nM | 5.37 | Binding affinity to amyloid beta (1 to 40) (unknown origin) fibrils | 35759679 |
| Amyloid-beta precursor protein | Kd | = | 7780.0 | nM | 5.11 | Binding affinity to amyloid beta (1 to 42) (unknown origin) fibrils | 35759679 |
| Amyloid-beta precursor protein | Kd | = | 12950.0 | nM | 4.89 | Binding affinity to amyloid beta (1 to 40) (unknown origin) monomer | 35759679 |
| Amyloid-beta precursor protein | Kd | = | 17640.0 | nM | 4.75 | Binding affinity to amyloid beta (1 to 42) (unknown origin) monomer | 35759679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35759679 | 10.1021/acs.jmedchem.1c01619 | Amyloid-beta precursor protein | 4 |
Data from ChEMBL 36 via Core Engine