Compound Detail
CHEMBL3955558
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COc1cc(C)c(-c2ccc(C(=O)O)cc2C)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1
Basic Information
| ChEMBL ID | CHEMBL3955558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZCDRLOHYWCQGY-MNAQKMTRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
689.7
MW (Da)
10.26
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesteryl ester transfer protein CHEMBL3572 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | IC50 | = | 1.9 | nM | 8.72 | Cholesteryl Ester Transfer Assay: As a protein source for cholesteryl ester tran... | - |
Data from ChEMBL 36 via Core Engine