Compound Detail
CHEMBL329989
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(O)C[C@H](O)CP(=O)(O)/C=C/C1=C(c2ccc(F)cc2)c2ccccc2C12CCCC2
Basic Information
| ChEMBL ID | CHEMBL329989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOSODOHQJJPEAM-VUVZNRFTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.4
MW (Da)
5.07
ALogP
3
HBA
3
HBD
94.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247 | IC50 | 8.68 | 8.68 | 2.1 | 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 | = | 2.1 | nM | 8.68 | Inhibition of rat microsomal HMG-CoA reductase activity by 50% | 2231594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2231594 | 10.1021/jm00173a007 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1 |
Data from ChEMBL 36 via Core Engine