Compound Detail
CHEMBL161638
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Basic Information
| ChEMBL ID | CHEMBL161638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPDIQEKNPVBXAI-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
507.8
MW (Da)
9.12
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.13
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Liver carboxylesterase 1 CHEMBL2623 | IC50 | 8.0 | 7.85 | 10.0 | 2 |
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.0 | 6.71 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 10.0 | nM | 8.0 | In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic micro... | 9513596 |
| Liver carboxylesterase 1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Acyl coenzyme A:cholesterol acyltransferase by microsomal LAI assa... | 9513596 |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of rat liver SOAT | 36473091 |
| Liver carboxylesterase 1 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Acyl coenzyme A:cholesterol acyltransferase by microsomal MAI2 ass... | 9513596 |
| Unchecked | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of formation of foam cells in rat peritoneal macrophages | 36473091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9513596 | 10.1021/jm970560h | Rattus norvegicus | 8 |
| 9513596 | 10.1021/jm970560h | Liver carboxylesterase 1 | 2 |
| 9513596 | 10.1021/jm970560h | Oryctolagus cuniculus | 2 |
| 9513596 | 10.1021/jm970560h | Acyl-CoA:cholesterol acyltransferase | 2 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Rattus norvegicus | 2 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Unchecked | 2 |
| 9513596 | 10.1021/jm970560h | Sterol O-acyltransferase 1 | 1 |
| 9513596 | 10.1021/jm970560h | Canis familiaris | 1 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Syrian golden hamster | 1 |
Data from ChEMBL 36 via Core Engine