Compound Detail
CHEMBL559739
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Basic Information
| ChEMBL ID | CHEMBL559739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGRMUIIVSDKLCZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
5.01
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stearoyl-CoA desaturase CHEMBL5555 | IC50 | 5.91 | 5.91 | 1218.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stearoyl-CoA desaturase | IC50 | = | 1218.0 | nM | 5.91 | 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