Compound Detail
CHEMBL2032424
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CC(C)OC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(CCCO)n2)C[C@H]1C(C)C
Basic Information
| ChEMBL ID | CHEMBL2032424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITCZRWADFDSYGE-DQEYMECFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
696.6
MW (Da)
7.64
ALogP
8
HBA
1
HBD
96.6
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesteryl ester transfer protein CHEMBL3572 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | IC50 | = | 37.0 | nM | 7.43 | Inhibition of CETP in human plasma assessed as transfer of fluorescently labelle... | 22543028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22543028 | 10.1016/j.bmcl.2012.04.042 | Cholesteryl ester transfer protein | 1 |
Data from ChEMBL 36 via Core Engine