Compound Detail
CHEMBL2151107
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COc1cc(/C=C2\OC(C)(C)CN([C@H](c3cc(F)c(F)c(F)c3)[C@@H](C)O)C2=O)ccc1-n1cnc(C)c1
Basic Information
| ChEMBL ID | CHEMBL2151107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQMQAFBJICQTOW-ZSCISJDOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
515.5
MW (Da)
4.71
ALogP
6
HBA
1
HBD
76.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | Inhibition of gamma secretase assessed as reduction in Abeta42 production | 21141968 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21141968 | 10.1021/jm101168r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine