Compound Detail
CHEMBL160587
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Basic Information
| ChEMBL ID | CHEMBL160587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJKXQWZJYOQHJG-PGMWNZCJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
5.75
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.67
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesteryl ester transfer protein CHEMBL3572 | IC50 | 6.22 | 5.76 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | IC50 | = | 600.0 | nM | 6.22 | Compound was tested for CETP inhibition by a precipitation method to separate li... | - |
| Cholesteryl ester transfer protein | IC50 | = | 5000.0 | nM | 5.3 | 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 | 2 |
Data from ChEMBL 36 via Core Engine