Compound Detail
CHEMBL3910458
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C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1CC1=C(c2cc(-c3ccc(C(=O)O)cc3Cl)ccc2F)CCC(C)(C)C1
Basic Information
| ChEMBL ID | CHEMBL3910458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCGPVGXQMOJEMC-ADKRDUOOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
684.0
MW (Da)
10.43
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesteryl ester transfer protein CHEMBL3572 | IC50 | 7.69 | 7.69 | 20.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | IC50 | = | 20.3 | nM | 7.69 | Cholesteryl Ester Transfer Assay: As a protein source for cholesteryl ester tran... | - |
Data from ChEMBL 36 via Core Engine