Compound Detail
CHEMBL2151199
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COc1cc(/C=C/c2nc3n(n2)CCC[C@@H]3c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1
Basic Information
| ChEMBL ID | CHEMBL2151199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQYASQYDOFUIAQ-YICVCXCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
5.90
ALogP
6
HBA
0
HBD
57.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 31.0 | nM | 7.51 | 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