Compound Detail
CHEMBL72261
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Basic Information
| ChEMBL ID | CHEMBL72261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGDVDAILXCMSFP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
6.99
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 42.0 | nM | 7.38 | In vitro inhibitory activity against ACAT was determined in rabbit intestinal mi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 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