Compound Detail
CHEMBL3642624
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Basic Information
| ChEMBL ID | CHEMBL3642624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKLATASKTPLNJX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
360.9
MW (Da)
3.65
ALogP
5
HBA
2
HBD
80.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 6.77 | 6.1433 | 170.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed... | 33588527 |
| Beta-secretase 1 | IC50 | = | 1450.0 | nM | 5.84 | Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escheric... | 33588527 |
| Beta-secretase 1 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition Assay: Zero point five μL of the test compounds (dissolved in N,N′-di... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33588527 | 10.1021/acs.jmedchem.0c01917 | Beta-secretase 1 | 2 |
Data from ChEMBL 36 via Core Engine