Compound Detail
CHEMBL564721
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Basic Information
| ChEMBL ID | CHEMBL564721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZJOQDIJBARWDQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
4.72
ALogP
7
HBA
1
HBD
72.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA desaturase 1 CHEMBL5353 | IC50 | 6.28 | 6.28 | 528.0 | 1 |
| Stearoyl-CoA desaturase CHEMBL5555 | IC50 | 5.85 | 5.85 | 1402.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA desaturase 1 | IC50 | = | 528.0 | nM | 6.28 | Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate t... | 19540759 |
| Stearoyl-CoA desaturase | IC50 | = | 1402.0 | nM | 5.85 | Inhibition of SCD1 in human microsomes assessed as conversion of [14C]stearate t... | 19540759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19540759 | 10.1016/j.bmcl.2009.05.119 | Acyl-CoA desaturase 1 | 1 |
| 19540759 | 10.1016/j.bmcl.2009.05.119 | Stearoyl-CoA desaturase | 1 |
| 19540759 | 10.1016/j.bmcl.2009.05.119 | Acyl-CoA 6-desaturase | 1 |
Data from ChEMBL 36 via Core Engine