Compound Detail
CHEMBL218383
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Basic Information
| ChEMBL ID | CHEMBL218383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFCORSRKGHOBIS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
4.62
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma CHEMBL613652 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Sterol O-acyltransferase 2 CHEMBL4465 | IC50 | 4.38 | 4.38 | 41600.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 4.05 | 4.05 | 89600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma | IC50 | = | 2600.0 | nM | 5.58 | Antioxidant activity against human plasma LDL oxidation by TBARS assay | 16919944 |
| Sterol O-acyltransferase 2 | IC50 | = | 41600.0 | nM | 4.38 | Inhibition of human ACAT2 expressed in Hi5 cells | 16919944 |
| Sterol O-acyltransferase 1 | IC50 | = | 89600.0 | nM | 4.05 | Inhibition of human ACAT1 expressed in Hi5 cells | 16919944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16919944 | 10.1016/j.bmcl.2006.08.032 | Plasma | 1 |
| 16919944 | 10.1016/j.bmcl.2006.08.032 | Sterol O-acyltransferase 1 | 1 |
| 16919944 | 10.1016/j.bmcl.2006.08.032 | Sterol O-acyltransferase 2 | 1 |
Data from ChEMBL 36 via Core Engine