Compound Detail
CHEMBL466257
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Basic Information
| ChEMBL ID | CHEMBL466257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYCXEKKLBAECDV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
343.8
MW (Da)
2.03
ALogP
5
HBA
2
HBD
84.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stearoyl-CoA desaturase CHEMBL5555 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
| Acyl-CoA desaturase 1 CHEMBL5424 | IC50 | 5.93 | 5.93 | 1170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stearoyl-CoA desaturase | IC50 | = | 79.0 | nM | 7.1 | Inhibition of delta-(9)-desaturase from human HepG2 cells | 19394219 |
| Acyl-CoA desaturase 1 | IC50 | = | 1170.0 | nM | 5.93 | Inhibition of rat microsomal delta-(9)-desaturase | 19394219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19394219 | 10.1016/j.bmcl.2009.04.004 | Acyl-CoA desaturase 1 | 1 |
| 19394219 | 10.1016/j.bmcl.2009.04.004 | Stearoyl-CoA desaturase | 1 |
Data from ChEMBL 36 via Core Engine