Compound Detail
CHEMBL118591
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Basic Information
| ChEMBL ID | CHEMBL118591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNEIWOVPLCNDAZ-SJORKVTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.67
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247 | IC50 | 5.8 | 5.8 | 1600.0 | 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 | = | 1600.0 | nM | 5.8 | In vitro inhibitory activity against HMG CoA reductase | 3973903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3973903 | 10.1021/jm00381a014 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 5 |
Data from ChEMBL 36 via Core Engine