Compound Detail
CHEMBL3985730
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COc1cc(Cl)ccc1[C@H]1CC[C@@H](CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)O1
Basic Information
| ChEMBL ID | CHEMBL3985730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVVREFVWRVVWAG-LAUBAEHRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
468.9
MW (Da)
3.38
ALogP
7
HBA
0
HBD
78.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Presenilin-1 CHEMBL2473 | IC50 | 7.67 | 7.67 | 21.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Presenilin-1 | IC50 | = | 21.6 | nM | 7.67 | Cell-Based Assay: The ability of compounds to modulate production of amyloid bet... | - |
Data from ChEMBL 36 via Core Engine