Compound Detail
CHEMBL447977
PACTIMIBE SULFATE 🧪 Phase II
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🧪 Phase II
CCCCCCCCN1CCc2c(C)c(CC(=O)O)c(C)c(NC(=O)C(C)(C)C)c21.CCCCCCCCN1CCc2c(C)c(CC(=O)O)c(C)c(NC(=O)C(C)(C)C)c21.O=S(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL447977 |
| Name | PACTIMIBE SULFATE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | MKJQESRCXYYHFR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL478858 |
| Active Moiety | CHEMBL478858 |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
2
Known Names
Molecular Properties
416.6
MW (Da)
5.64
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 6 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.062 | 300.0 | 5 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Inhibition of foam cells formation in human THP-1 cells assessed as acetyl-LDL-m... | 36473091 |
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | Inhibition of rabbit intestinal SOAT | 36473091 |
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | Inhibition of normocholesterolemic rabbit liver ACAT | 36473091 |
| Rattus norvegicus | IC50 | = | 1300.0 | nM | 5.89 | Antioxidant activity in rat brain homogenate assessed as inhibition of lipid per... | 36473091 |
| Unchecked | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of formation of foam cells in rat peritoneal macrophages | 36473091 |
| Unchecked | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of SOAT (unknown origin) in macrophage | 36473091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Unchecked | 5 |
| 18620381 | 10.1021/jm800248r | No relevant target | 2 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine