Compound Detail
CHEMBL1933478
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CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL1933478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGRXKACSIZBOQE-RXFGNZNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
579.7
MW (Da)
3.45
ALogP
6
HBA
4
HBD
133.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of ACAT1- mediated cholesteryl ester synthesis in macrophages | 22079027 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22079027 | 10.1016/j.bmcl.2011.10.045 | Sterol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine