Compound Detail
CHEMBL1080543
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O=C(c1ccc(C(F)(F)F)cc1)c1c(C2CCCC2)nc2c(c1C1CCCCC1)[C@@H](O)CC1(CCC1)C2
Basic Information
| ChEMBL ID | CHEMBL1080543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSLLSCZRFZVNCY-DEOSSOPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
8.19
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.42
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesteryl ester transfer protein CHEMBL3572 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | IC50 | = | 55.0 | nM | 7.26 | Inhibition of CETP assessed as cholesterol ester transfer after 4 hrs by microem... | 20137927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20137927 | 10.1016/j.bmcl.2010.01.071 | Cholesteryl ester transfer protein | 1 |
Data from ChEMBL 36 via Core Engine