Compound Detail
CHEMBL413330
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Basic Information
| ChEMBL ID | CHEMBL413330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGNIGUDXLBHOOL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
6.44
ALogP
2
HBA
2
HBD
54.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 7.66 | 7.66 | 21.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 21.7 | nM | 7.66 | Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat m... | 8027989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8027989 | 10.1021/jm00039a020 | Sterol O-acyltransferase 1 | 2 |
Data from ChEMBL 36 via Core Engine