Compound Detail
CHEMBL330794
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Basic Information
| ChEMBL ID | CHEMBL330794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZIWGCUPRMIEAU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
6.29
ALogP
4
HBA
1
HBD
46.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 48.0 | nM | 7.32 | Concentration required for the inhibition of cholesterol O-acyl transferase (ACA... | - |
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 590.0 | nM | 6.23 | Concentration required for the inhibition of cholesterol O-acyl transferase (ACA... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80149-3 | No relevant target | 1 |
| - | 10.1016/S0960-894X(00)80149-3 | Sterol O-acyltransferase 1 | 1 |
| - | 10.1016/S0960-894X(00)80149-3 | Acyl-CoA:cholesterol acyltransferase | 1 |
Data from ChEMBL 36 via Core Engine