Compound Detail
CHEMBL5871917
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Basic Information
| ChEMBL ID | CHEMBL5871917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UISLUELHNUWQTH-FQEVSTJZSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
507.4
MW (Da)
3.45
ALogP
8
HBA
2
HBD
123.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 8.89 | 8.765 | 1.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 1.3 | nM | 8.89 | In Vivo Inhibition of Beta-Secretase: Several animal models, including mouse, ra... | - |
| Beta-secretase 1 | IC50 | = | 2.3 | nM | 8.64 | In Vivo Inhibition of Beta-Secretase: Several animal models, including mouse, ra... | - |
Data from ChEMBL 36 via Core Engine