Compound Detail
CHEMBL4114553
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Basic Information
| ChEMBL ID | CHEMBL4114553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWVJOGWOKXGBMT-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.8
MW (Da)
1.66
ALogP
9
HBA
3
HBD
150.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 2900.0 | nM | 5.54 | Inhibition Assay: Chinese hamster ovary cells are transfected with the human gen... | - |
| Beta-secretase 1 | IC50 | = | 8700.0 | nM | 5.06 | Inhibition Assay: Recombinant BACE-1 (extracellular domain, expressed in baculov... | - |
Data from ChEMBL 36 via Core Engine