Compound Detail
CHEMBL3890942
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Basic Information
| ChEMBL ID | CHEMBL3890942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGGMTOYKEDKFLN-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
502.7
MW (Da)
4.06
ALogP
8
HBA
2
HBD
77.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 6.35 | 6.35 | 450.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 450.0 | nM | 6.35 | Inhibition of human ACAT1 | - |
| Sterol O-acyltransferase 1 | IC50 | = | 450.0 | nM | 6.35 | Inhibition Assay: Methods for assessing the selectively of ACAT1 inhibitors are ... | - |
Data from ChEMBL 36 via Core Engine