Compound Detail
CHEMBL331411
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
CCOC(=O)c1c(-c2ccc(C#N)cc2)c(-c2ccc(F)cc2)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c1C(C)C
Basic Information
| ChEMBL ID | CHEMBL331411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYDDXEIYERNMIL-DNQXCXABSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
5.59
ALogP
7
HBA
1
HBD
101.5
PSA (Ų)
0.39
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247 | IC50 | 6.55 | 6.55 | 280.0 | 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 | = | 280.0 | nM | 6.55 | Inhibition of HMG-CoA reductase activity in partially purified rat liver | 1992137 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992137 | 10.1021/jm00105a056 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 2 |
Data from ChEMBL 36 via Core Engine