Compound Detail
CHEMBL2368970
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Basic Information
| ChEMBL ID | CHEMBL2368970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMMVXGKAALDTIC-XEVLESSRSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.2
MW (Da)
4.88
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247 | IC50 | 8.3 | 7.53 | 5.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 5.0 | nM | 8.3 | Inhibition of solubilized partially purified rat liver HMG-CoA reductase | 3950902 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 24.0 | nM | 7.62 | Inhibition of solubilized partially purified rat liver HMG-CoA reductase | 3950902 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 24.0 | nM | 7.62 | Compound was tested in vitro for its ability to inhibit rat liver HMG-CoA reduct... | 3701793 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 260.0 | nM | 6.58 | Inhibition of solubilized partially purified rat liver HMG-CoA reductase | 3950902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3950902 | 10.1021/jm00152a002 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 6 |
| 3701793 | 10.1021/jm00155a041 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 2 |
Data from ChEMBL 36 via Core Engine