Compound Detail
CHEMBL71333
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OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(F)cc2)c1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL71333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHUQKYBEVUVRAV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
521.4
MW (Da)
6.78
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.30
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesteryl ester transfer protein CHEMBL1163116 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Cholesteryl ester transfer protein CHEMBL3572 | IC50 | 7.52 | 5.81 | 30.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | IC50 | = | 30.0 | nM | 7.52 | Compound was tested in vitro for inhibitory activity against recombinant human c... | 12747787 |
| Cholesteryl ester transfer protein | IC50 | = | 30.0 | nM | 7.52 | Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters ... | 20116902 |
| Cholesteryl ester transfer protein | IC50 | = | 4100.0 | nM | 5.39 | Compound was tested in vitro for inhibitory activity against recombinant human c... | 12747787 |
| Cholesteryl ester transfer protein | IC50 | = | 29998.53 | nM | 4.52 | Inhibition of CETP (unknown origin)-mediated [3H]cholesteryl ester transfer from... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747787 | 10.1021/jm020528+ | Cholesteryl ester transfer protein | 2 |
| 20116902 | 10.1016/j.ejmech.2009.12.070 | Cholesteryl ester transfer protein | 1 |
| - | 10.1007/s00044-004-0104-9 | Cholesteryl ester transfer protein | 1 |
Data from ChEMBL 36 via Core Engine