Compound Detail
CHEMBL5912175
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS(=O)(=O)C2(CC(F)(F)C2)C(N)=N1
Basic Information
| ChEMBL ID | CHEMBL5912175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEKASRYLAHQPAG-SFHVURJKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
486.9
MW (Da)
3.30
ALogP
6
HBA
2
HBD
114.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
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... | - |
Data from ChEMBL 36 via Core Engine