Compound Detail
CHEMBL273826
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
CCCCCCCN(CCCCCSc1nc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)[nH]1)C(=O)NC(C)C
Basic Information
| ChEMBL ID | CHEMBL273826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBNUPZVGPLMSEX-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
606.9
MW (Da)
8.53
ALogP
5
HBA
2
HBD
67.5
PSA (Ų)
0.11
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.22 | 8.11 | 0.6 | 4 |
| J774 CHEMBL614123 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 7.1 | 7.1 | 80.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.6 | nM | 9.22 | Acyl coenzyme A:cholesterol acyltransferase activity was determined in J774 macr... | 7707310 |
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | Acyl coenzyme A:cholesterol acyltransferase inhibition in cell culture measured ... | 7707310 |
| J774 | IC50 | = | 4.0 | nM | 8.4 | Concentration required to inhibit 50% activity of J774 macrophage cholesterol es... | 7707310 |
| Unchecked | IC50 | = | 25.0 | nM | 7.6 | Inhibition of SOAT (unknown origin) in macrophage | 36473091 |
| Sterol O-acyltransferase 1 | IC50 | = | 80.0 | nM | 7.1 | Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol ac... | 7707310 |
| Sterol O-acyltransferase 1 | IC50 | = | 80.0 | nM | 7.1 | ACAT activity was determined in rat hepatic microsomes by measuring the formatio... | 7707310 |
| Unchecked | IC50 | = | 80.0 | nM | 7.1 | Inhibition of rat hepatic microsome SOAT | 36473091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7707310 | 10.1021/jm00007a004 | Sterol O-acyltransferase 1 | 2 |
| 7707310 | 10.1021/jm00007a004 | Unchecked | 2 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Unchecked | 2 |
| 7707310 | 10.1021/jm00007a004 | J774 | 1 |
Data from ChEMBL 36 via Core Engine