Compound Detail
CHEMBL139220
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL139220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGSPYZRAWSMUHY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
8.30
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 25.0 | nM | 7.6 | In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) from r... | 9784116 |
| Unchecked | IC50 | = | 80.0 | nM | 7.1 | In vitro inhibitory activity against acetylated LDL-induced accumulation of chol... | 9784116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784116 | 10.1021/jm980399q | Rattus norvegicus | 2 |
| 9784116 | 10.1021/jm980399q | Acyl-CoA:cholesterol acyltransferase | 1 |
| 9784116 | 10.1021/jm980399q | Unchecked | 1 |
| 9784116 | 10.1021/jm980399q | No relevant target | 1 |
| 9784116 | 10.1021/jm980399q | ADMET | 1 |
Data from ChEMBL 36 via Core Engine