Compound Detail
CHEMBL4064327
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CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL4064327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCQDTHSOSTXQCC-DSITVLBTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
602.6
MW (Da)
8.08
ALogP
4
HBA
0
HBD
59.1
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesteryl ester transfer protein CHEMBL3572 | IC50 | 6.11 | 6.11 | 771.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | IC50 | = | 771.0 | nM | 6.11 | Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluore... | 29035537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29035537 | 10.1021/acs.jmedchem.7b00900 | Cholesteryl ester transfer protein | 1 |
Data from ChEMBL 36 via Core Engine