Compound Detail
CHEMBL347038
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CC(=O)C1=C(C(C)=O)C(C(C)=O)C=C2OC3CC[C@@]4(C)C(C)(C)CCC[C@]4(C)C3C=C21
Basic Information
| ChEMBL ID | CHEMBL347038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHHFPYMJMBRAOG-BHTJTLQTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
424.6
MW (Da)
5.52
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.60
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesteryl ester transfer protein CHEMBL3572 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | IC50 | = | 23000.0 | nM | 4.64 | Compound was tested for Cholesteryl ester transfer protein (CETP) inhibition by ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00081-4 | Cholesteryl ester transfer protein | 1 |
Data from ChEMBL 36 via Core Engine