Compound Detail
CHEMBL3216237
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COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cc(N)cc3C(C)C)CCN(c3ncccc3OCCCO)CC2)c1.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL3216237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQVSTMRMZCCFGP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1197498 |
| Active Moiety | CHEMBL1197498 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
589.8
MW (Da)
6.04
ALogP
7
HBA
4
HBD
122.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of ACAT in rat macrophages assessed as incorporation of extracellular... | 19464189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19464189 | 10.1016/j.bmc.2009.04.059 | Sterol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine