Compound Detail
CHEMBL5761187
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Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@]2(C)CS(=O)(=O)C3(CCC3)C(N)=N2)c1
Basic Information
| ChEMBL ID | CHEMBL5761187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCAJFEVSAAPDNX-NRFANRHFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
2.58
ALogP
7
HBA
2
HBD
138.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 9.12 | 9.12 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 0.76 | nM | 9.12 | In Vivo Inhibition of Beta-Secretase: Several animal models, including mouse, ra... | - |
Data from ChEMBL 36 via Core Engine