Compound Detail
CHEMBL329307
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
CC(C)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC(=O)[O-].[Na+]
Basic Information
| ChEMBL ID | CHEMBL329307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URIMXDOMPWCZID-GCUSPBPKSA-M |
| Parent Compound | CHEMBL1206957 |
| Active Moiety | CHEMBL1206957 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
5.39
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL402 | IC50 | 7.26 | 7.26 | 55.0 | 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 | = | 17.0 | nM | 7.77 | In vitro inhibition of HMG-CoA reductase in solubilized rat liver. | 1656041 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 55.0 | nM | 7.26 | Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G... | 1656041 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1656041 | 10.1021/jm00114a004 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 4 |
| 1656041 | 10.1021/jm00114a004 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine