Compound Detail
CHEMBL3926760
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Cc1cc(C(=O)O)ccc1-c1cccc(C2=C(CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL3926760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJEGUUXLLYBZHB-WRGVRERRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
645.6
MW (Da)
9.94
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesteryl ester transfer protein CHEMBL3572 | IC50 | 7.97 | 7.97 | 10.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | IC50 | = | 10.7 | nM | 7.97 | Cholesteryl Ester Transfer Assay: As a protein source for cholesteryl ester tran... | - |
Data from ChEMBL 36 via Core Engine