Compound Detail
CHEMBL2151284
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL2151284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQOWDDLKGBMJFX-QHCPKHFHSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
480.4
MW (Da)
8.27
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.05 | 6.2233 | 90.0 | 3 |
| Gamma-secretase CHEMBL2094135 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 90.0 | nM | 7.05 | Inhibition of gamma secretase assessed as reduction in Abeta42 production | 21141968 |
| Gamma-secretase | IC50 | = | 200.0 | nM | 6.7 | Modulation of gamma-secretase in human SKNBE-2 cells transfected with wild type ... | 26142947 |
| Unchecked | IC50 | = | 260.0 | nM | 6.58 | Modulation of gamma-secretase assessed as reduction in amyloid beta 42 level by ... | 23030762 |
| Unchecked | IC50 | = | 9100.0 | nM | 5.04 | Modulation of gamma-secretase assessed as reduction in amyloid beta 40 level by ... | 23030762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23030762 | 10.1021/jm300976b | Unchecked | 3 |
| 21141968 | 10.1021/jm101168r | Unchecked | 1 |
| 21141968 | 10.1021/jm101168r | Rattus norvegicus | 1 |
| 26142947 | 10.1016/j.bmcl.2015.06.032 | Gamma-secretase | 1 |
Data from ChEMBL 36 via Core Engine