Compound Detail
CHEMBL2151234
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COc1cc(-c2cn(C3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1C#Cc1ccnc(C)c1
Basic Information
| ChEMBL ID | CHEMBL2151234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCAYRAAMCFXQNB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
549.5
MW (Da)
5.28
ALogP
6
HBA
0
HBD
73.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.08 | 7.08 | 83.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 83.0 | nM | 7.08 | 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