Compound Detail
CHEMBL73336
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Basic Information
| ChEMBL ID | CHEMBL73336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWWJFTXMFCYMHF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
5.61
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.74
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 7.39 | 7.295 | 41.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 41.0 | nM | 7.39 | In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase using intesti... | 8230120 |
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 63.0 | nM | 7.2 | 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 |
Data from ChEMBL 36 via Core Engine