Compound Detail
CHEMBL3889603
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Cc1cn(-c2ccc3n(c2=O)CCN([C@@H]2CC[C@H]2Oc2cccc4ccc(F)cc24)C3=O)cn1
Basic Information
| ChEMBL ID | CHEMBL3889603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMIYUYCIZGRXRV-HYBUGGRVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
3.70
ALogP
6
HBA
0
HBD
69.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Presenilin-1 CHEMBL2473 | IC50 | 6.95 | 6.95 | 112.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Presenilin-1 | IC50 | = | 112.0 | nM | 6.95 | Cell-Based Assay: The ability of compounds to modulate production of amyloid bet... | - |
Data from ChEMBL 36 via Core Engine