Compound Detail
CHEMBL2375155
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
CC(C)c1c(/C=C/[C@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)cn1C1CCCCC1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL2375155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEBHTQYJINYGAN-XECPIYGWSA-M |
| Parent Compound | CHEMBL3039795 |
| Active Moiety | CHEMBL3039795 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
5.52
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL402 | IC50 | 9.97 | 9.97 | 0.1 | 1 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247 | IC50 | 7.16 | 7.16 | 69.0 | 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 | = | 0.106 | nM | 9.97 | Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a... | 2153213 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 69.0 | nM | 7.16 | In vitro inhibition of HMG-CoA reductase of rat liver | 2153213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2153213 | 10.1021/jm00163a011 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 4 |
Data from ChEMBL 36 via Core Engine