Compound Detail
CHEMBL2367825
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
O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(Cl)cc(Cl)cc1-c1ccc(F)cc1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL2367825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNSCOIWHLKTBIE-IYUPQLJSSA-M |
| Parent Compound | CHEMBL3040343 |
| Active Moiety | CHEMBL3040343 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.2
MW (Da)
4.40
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247 | IC50 | 8.35 | 8.35 | 4.5 | 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 | = | 4.5 | nM | 8.35 | In vitro inhibition of solubilized HMG-CoA reductase in rat liver. | 1656041 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1656041 | 10.1021/jm00114a004 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1 |
Data from ChEMBL 36 via Core Engine