Compound Detail
CHEMBL2368917
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O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2cccc3ccccc23)O1
Basic Information
| ChEMBL ID | CHEMBL2368917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STTWYTZBAZKFCT-TYFAACHXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.3
MW (Da)
5.81
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247 | IC50 | 5.36 | 5.36 | 4400.0 | 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 | = | 4400.0 | nM | 5.36 | Inhibition of solubilized, partially purified rat liver HMG-CoA reductase | 3950901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3950901 | 10.1021/jm00152a001 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 2 |
Data from ChEMBL 36 via Core Engine