Compound Detail
CHEMBL5195545
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Basic Information
| ChEMBL ID | CHEMBL5195545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCNOOROLGCVDKV-GVYCEHEKSA-M |
| Parent Compound | CHEMBL5222256 |
| Active Moiety | CHEMBL5222256 |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
423.6
MW (Da)
7.39
ALogP
1
HBA
0
HBD
7.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 6 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Kd | 4.68 | 4.364 | 20800.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Kd | = | 20800.0 | nM | 4.68 | Binding affinity to amyloid beta (1 to 42) (unknown origin) oligomer | 35759679 |
| Amyloid-beta precursor protein | Kd | = | 25300.0 | nM | 4.6 | Binding affinity to amyloid beta (1 to 42) (unknown origin) monomer | 35759679 |
| Amyloid-beta precursor protein | Kd | = | 36400.0 | nM | 4.44 | Binding affinity to amyloid beta (1 to 40) (unknown origin) oligomer | 35759679 |
| Amyloid-beta precursor protein | Kd | = | 81000.0 | nM | 4.09 | Binding affinity to amyloid beta (1 to 40) (unknown origin) monomer | 35759679 |
| Amyloid-beta precursor protein | Kd | = | 97900.0 | nM | 4.01 | Binding affinity to amyloid beta (1 to 42) (unknown origin) fibrils | 35759679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35759679 | 10.1021/acs.jmedchem.1c01619 | Amyloid-beta precursor protein | 6 |
Data from ChEMBL 36 via Core Engine