Compound Detail
CHEMBL49639
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Basic Information
| ChEMBL ID | CHEMBL49639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXKJJEHNPZBTMN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
538.8
MW (Da)
9.21
ALogP
5
HBA
1
HBD
75.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL4464 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 31.0 | nM | 7.51 | Liver Acyl coenzyme A:cholesterol acyltransferase inhibitory activity was determ... | - |
| Sterol O-acyltransferase 1 | IC50 | = | 3100.0 | nM | 5.51 | Compound was tested for its ability to penetrate the cell wall and inhibit macro... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00310-1 | Oryctolagus cuniculus | 4 |
| - | 10.1016/0960-894X(96)00310-1 | Sterol O-acyltransferase 1 | 2 |
| - | 10.1016/0960-894X(96)00310-1 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine