Compound Detail
CHEMBL322919
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CC(C)c1cc(C(C)C)c(OS(=O)(=O)CC(=O)Nc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL322919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URRQSLHODKGACS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
501.7
MW (Da)
7.65
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.34
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 7.0 | nM | 8.15 | In vitro inhibition of ACAT by incubation with [1-14C]oleolyl-CoA and intestinal... | 9871672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871672 | 10.1016/s0960-894x(98)00011-0 | Acyl-CoA:cholesterol acyltransferase | 1 |
| 9871672 | 10.1016/s0960-894x(98)00011-0 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine