Compound Detail
CHEMBL33271
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Basic Information
| ChEMBL ID | CHEMBL33271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNXLFTVZFHHHPX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
4.18
ALogP
3
HBA
1
HBD
47.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 7.0 | 6.98 | 100.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 500.0 | nM | Oryctolagus cuniculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 100.0 | nM | 7.0 | In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat li... | 8691472 |
| Sterol O-acyltransferase 1 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of ACAT in rat | 34213340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691472 | 10.1021/jm9505876 | Sterol O-acyltransferase 1 | 1 |
| 8691472 | 10.1021/jm9505876 | Oryctolagus cuniculus | 1 |
| 34213340 | 10.1021/acs.jmedchem.1c00790 | Sterol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine