Compound Detail
CHEMBL316938
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COc1ccc(C(c2ccc(F)cc2)c2cc(C)cc(C)c2OCC(O)C[C@@H](O)CC(=O)[O-])cc1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL316938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFEZGMKECKUIDL-ZPMVAGOWSA-M |
| Parent Compound | CHEMBL1206845 |
| Active Moiety | CHEMBL1206845 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
4.60
ALogP
5
HBA
3
HBD
96.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 100.0 | nM | 7.0 | In vitro inhibition of HMG-CoA reductase in solubilized rat liver. | 1656041 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1656041 | 10.1021/jm00114a004 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 2 |
Data from ChEMBL 36 via Core Engine