Compound Detail
CHEMBL69844
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Basic Information
| ChEMBL ID | CHEMBL69844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOJADQQAERAIIA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
324.5
MW (Da)
5.30
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.74
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 7.06 | 7.06 | 88.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 58.0 | nM | 7.24 | Inhibition of small intimal microsomal fraction of cholesterol-fed rabbit ACAT u... | 36473091 |
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 88.0 | nM | 7.06 | In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase using intesti... | 8230120 |
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 88.0 | nM | 7.06 | In vitro inhibitory activity against ACAT was determined in rabbit intestinal mi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230120 | 10.1021/jm00074a011 | Acyl-CoA:cholesterol acyltransferase | 1 |
| - | 10.1016/0960-894X(95)00387-9 | Acyl-CoA:cholesterol acyltransferase | 1 |
| - | 10.1016/0960-894X(95)00387-9 | Rattus norvegicus | 1 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine