Compound Detail
CHEMBL33842
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Basic Information
| ChEMBL ID | CHEMBL33842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWYZASAJZALBMJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
5.60
ALogP
3
HBA
1
HBD
47.1
PSA (Ų)
0.64
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 150.0 | nM | Oryctolagus cuniculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 15.0 | nM | 7.82 | In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat li... | 8691472 |
| Sterol O-acyltransferase 1 | IC50 | = | 1300.0 | nM | 5.89 | Inhibitory concentration was evaluated as concentration required to inhibit 50% ... | 8691472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691472 | 10.1021/jm9505876 | Sterol O-acyltransferase 1 | 2 |
| 8691472 | 10.1021/jm9505876 | Oryctolagus cuniculus | 1 |
| 8691472 | 10.1021/jm9505876 | Acyl-CoA:cholesterol acyltransferase | 1 |
Data from ChEMBL 36 via Core Engine