Compound Detail
CHEMBL573970
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CCCCn1c(=O)c(NC(=O)Nc2c(C(C)C)cc(N)cc2C(C)C)c(-c2cccc(OCCCO)c2)c2cccnc21
Basic Information
| ChEMBL ID | CHEMBL573970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNRUUMLUBDTZHX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
585.8
MW (Da)
7.10
ALogP
7
HBA
4
HBD
131.5
PSA (Ų)
0.10
QED
2
Ro5 Violations
12
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 |
|---|---|---|---|---|---|
| Acetyl-CoA acetyltransferase, mitochondrial CHEMBL2616 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 7.51 | 7.51 | 31.0 | 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 | Inhibition of ACAT in rat macrophages assessed as incorporation of extracellular... | 19464189 |
| Acetyl-CoA acetyltransferase, mitochondrial | IC50 | = | 31.0 | nM | 7.51 | Inhibition of ACAT1 (unknown origin) | 38569434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19464189 | 10.1016/j.bmc.2009.04.059 | Sterol O-acyltransferase 1 | 1 |
| 19464189 | 10.1016/j.bmc.2009.04.059 | No relevant target | 1 |
| 19464189 | 10.1016/j.bmc.2009.04.059 | HepG2 | 1 |
| 38569434 | 10.1016/j.ejmech.2024.116333 | Acetyl-CoA acetyltransferase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine