Compound Detail
CHEMBL5846325
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CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(F)cc(C#N)c3)cc1[C@]21N=C(C)C(N)=N1
Basic Information
| ChEMBL ID | CHEMBL5846325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBPMBBOBMLYWBG-NQHRYMMQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.48
ALogP
5
HBA
1
HBD
83.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 8.92 | 8.695 | 1.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 1.2 | nM | 8.92 | sAPPbeta Release Assay: SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, ... | - |
| Amyloid-beta precursor protein | IC50 | = | 3.4 | nM | 8.47 | TR-FRET Assay: The β-secretase enzyme used in the TR-FRET is prepared as follows... | - |
Data from ChEMBL 36 via Core Engine