Compound Detail
CHEMBL2029489
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CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(CCCO)n2)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C
Basic Information
| ChEMBL ID | CHEMBL2029489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWIYJWPMVCKHKA-QPPBQGQZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
682.6
MW (Da)
7.39
ALogP
8
HBA
1
HBD
96.6
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesteryl ester transfer protein CHEMBL3572 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | IC50 | = | 15.0 | nM | 7.82 | 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 | Mus musculus | 5 |
| 22543028 | 10.1016/j.bmcl.2012.04.042 | Cholesteryl ester transfer protein | 1 |
| 22543028 | 10.1016/j.bmcl.2012.04.042 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine