Compound Detail
CHEMBL576780
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Basic Information
| ChEMBL ID | CHEMBL576780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APYONNMRNATNGB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
3.00
ALogP
5
HBA
3
HBD
102.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA desaturase 1 CHEMBL5424 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA desaturase 1 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of stearoyl-CoA delta9 desaturase in rat microsome | 19577469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19577469 | 10.1016/j.bmcl.2009.06.017 | Acyl-CoA desaturase 1 | 1 |
| 19577469 | 10.1016/j.bmcl.2009.06.017 | Stearoyl-CoA desaturase | 1 |
Data from ChEMBL 36 via Core Engine