Compound Detail
CHEMBL5753347
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CC1=N[C@@]2(CC([C@H]3CCOC(C)(C)C3)Oc3ccc(-c4cccc(Cl)c4)cc32)N=C1N
Basic Information
| ChEMBL ID | CHEMBL5753347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNGMSULGCSIWPT-YHLDMFKXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
438.0
MW (Da)
5.35
ALogP
5
HBA
1
HBD
69.2
PSA (Ų)
0.69
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 5.0 | nM | 8.3 | FRET Assay: The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL)... | - |
Data from ChEMBL 36 via Core Engine