Compound Detail
CHEMBL77486
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CC[C@H](C)C(=O)O[C@H]1C[C@@H](/C=C/Cc2ccccc2)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL77486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAUZUJHNCKBVKD-UPMVUGGKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
508.7
MW (Da)
6.05
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247 | IC50 | 8.15 | 8.15 | 7.0 | 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 | = | 7.0 | nM | 8.15 | Inhibition of microsomal rat liver HMG-CoA reductase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81069-6 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1 |
| - | 10.1016/S0960-894X(01)81069-6 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine