Compound Detail
CHEMBL3956054
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Basic Information
| ChEMBL ID | CHEMBL3956054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNSIJZXQJTZAPQ-JPHJHBEYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
3.44
ALogP
5
HBA
1
HBD
56.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 6.14 | 6.14 | 718.0 | 1 |
| Beta-secretase 2 CHEMBL2525 | IC50 | 5.29 | 5.29 | 5080.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 718.0 | nM | 6.14 | BACE-1 Cell-Free Assay: A synthetic APP substrate that can be cleaved by beta-se... | - |
| Beta-secretase 2 | IC50 | = | 5080.0 | nM | 5.29 | BACE-2 Cell-Free Assay: This assay measures the inhibition of the BACE2 enzyme a... | - |
| Beta-secretase 2 | IC50 | = | 5080.0 | nM | 5.29 | BACE-2 Cell-Free Assay: This assay measures the inhibition of the BACE2 enzyme a... | - |
Data from ChEMBL 36 via Core Engine