Compound Detail
CHEMBL338700
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OC(CN(Cc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL338700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVJRUZDMACFHFH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
553.4
MW (Da)
6.72
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesteryl ester transfer protein CHEMBL1163116 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| Cholesteryl ester transfer protein CHEMBL3572 | IC50 | 6.38 | 6.0233 | 420.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | IC50 | = | 420.0 | nM | 6.38 | Concentration required for 50% inhibition of cholesteryl ester transfer protein ... | 12190312 |
| Cholesteryl ester transfer protein | IC50 | = | 420.0 | nM | 6.38 | Inhibition of CETP | 17604633 |
| Cholesteryl ester transfer protein | IC50 | = | 420.0 | nM | 6.38 | Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters ... | 20116902 |
| Cholesteryl ester transfer protein | IC50 | = | 4900.0 | nM | 5.31 | Concentration required for 50% Inhibition against Cholesteryl ester transfer pro... | 12190312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12190312 | 10.1021/jm020038h | Cholesteryl ester transfer protein | 2 |
| 17604633 | 10.1016/j.bmc.2007.06.021 | Cholesteryl ester transfer protein | 1 |
| 20116902 | 10.1016/j.ejmech.2009.12.070 | Cholesteryl ester transfer protein | 1 |
Data from ChEMBL 36 via Core Engine