Compound Detail
CHEMBL329640
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Basic Information
| ChEMBL ID | CHEMBL329640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEOPVJYUCSQVMJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
268.4
MW (Da)
4.34
ALogP
3
HBA
0
HBD
16.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 7.19 | 7.015 | 64.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 64.0 | nM | 7.19 | Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-... | 12801237 |
| Amyloid-beta precursor protein | Ki | = | 143.0 | nM | 6.84 | Binding affinity to amyloid beta (1 to 40) (unknown origin) fibrils | 35759679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12801237 | 10.1021/jm030026b | Unchecked | 3 |
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
| 12801237 | 10.1021/jm030026b | No relevant target | 1 |
| 12801237 | 10.1021/jm030026b | Amyloid-beta precursor protein | 1 |
| 35759679 | 10.1021/acs.jmedchem.1c01619 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine