Compound Detail
CHEMBL333258
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CC(C)c1nc2ccc(Cl)cc2c(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1
Basic Information
| ChEMBL ID | CHEMBL333258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRJJJAKBRKABFA-TYFAACHXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
439.9
MW (Da)
5.90
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 7.5 | 7.5 | 32.0 | 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 | = | 25.0 | nM | 7.6 | Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats. | 1992138 |
| Rattus norvegicus | IC50 | = | 32.0 | nM | 7.5 | Compound was tested for its Cholesterol Synthesis Inhibition ability in rats. | 1992138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992138 | 10.1021/jm00105a057 | Rattus norvegicus | 3 |
| 1992138 | 10.1021/jm00105a057 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1 |
Data from ChEMBL 36 via Core Engine