Compound Detail
CHEMBL50132
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
c1ccc(-c2nc(SCCCCCSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)[nH]c2-c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL50132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEYVJLHNERHKOY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
572.8
MW (Da)
9.86
ALogP
4
HBA
2
HBD
57.4
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL4464 | IC50 | 5.16 | 5.16 | 6920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 30.0 | nM | 7.52 | In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepati... | - |
| Sterol O-acyltransferase 1 | IC50 | = | 6920.0 | nM | 5.16 | Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cel... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00003-C | Sterol O-acyltransferase 1 | 2 |
Data from ChEMBL 36 via Core Engine