Compound Detail
CHEMBL123357
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COC(=O)c1c(C(=O)OC)c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c1-c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL123357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVRRDSHLWNNMFF-IAGOWNOFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
3.45
ALogP
8
HBA
1
HBD
104.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247 | IC50 | 6.75 | 6.75 | 180.0 | 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 | = | 180.0 | nM | 6.75 | 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