Compound Detail
CHEMBL602233
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Basic Information
| ChEMBL ID | CHEMBL602233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKPBLEPQPPQCKV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.89
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 4.79 | 4.79 | 16200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 16200.0 | nM | 4.79 | Inhibition of human recombinant BACE1 after 60 mins by fluorescence assay | 19939683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19939683 | 10.1016/j.bmc.2009.10.004 | Beta-secretase 1 | 2 |
Data from ChEMBL 36 via Core Engine