Compound Detail
CHEMBL264861
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Basic Information
| ChEMBL ID | CHEMBL264861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGUWSRGWPGKLPA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
455.7
MW (Da)
7.02
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.6 | nM | 8.59 | Inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) | - |
| Sterol O-acyltransferase 1 | IC50 | = | 5.0 | nM | 8.3 | In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase... | 8691430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691430 | 10.1021/jm960170f | Rattus norvegicus | 3 |
| 8691430 | 10.1021/jm960170f | Sterol O-acyltransferase 1 | 2 |
| - | 10.1016/0960-894X(95)00026-P | Rattus norvegicus | 2 |
| 8691430 | 10.1021/jm960170f | Oryctolagus cuniculus | 1 |
| - | 10.1016/0960-894X(95)00026-P | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine