Compound Detail
CHEMBL135534
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Basic Information
| ChEMBL ID | CHEMBL135534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJEVJRYRHKTJOE-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
6.97
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.96 | 4.855 | 11000.0 | 2 |
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 11000.0 | nM | 4.96 | Inhibitory activity against Acyl-coenzyme A:cholesterol acyltransferase in macro... | 11708931 |
| Unchecked | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of SOAT (unknown origin) in macrophage | 36473091 |
| Sterol O-acyltransferase 1 | IC50 | = | 18000.0 | nM | 4.75 | In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver mic... | 11708931 |
| Unchecked | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of rat hepatic microsome SOAT | 36473091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708931 | 10.1021/jm010807h | Unchecked | 6 |
| 11708931 | 10.1021/jm010807h | Sterol O-acyltransferase 1 | 2 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine