Compound Detail
CHEMBL1276623
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Basic Information
| ChEMBL ID | CHEMBL1276623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWTDRYIQCPGWSN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
4.15
ALogP
8
HBA
0
HBD
90.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stearoyl-CoA desaturase CHEMBL5555 | IC50 | 10.0 | 9.5 | 0.1 | 2 |
| Acyl-CoA desaturase 1 CHEMBL5353 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stearoyl-CoA desaturase | IC50 | = | 0.1 | nM | 10.0 | Inhibition of SCD1 in HEK293A cell microsomes assessed as reduction in conversio... | 20801551 |
| Acyl-CoA desaturase 1 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of SCD1 in mouse microsome assessed as reduction in conversion of [14... | 20801551 |
| Stearoyl-CoA desaturase | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human SCD1 expressed in HEK293A cells assessed as reduction in con... | 20801551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20801551 | 10.1016/j.ejmech.2010.07.044 | Stearoyl-CoA desaturase | 2 |
| 20801551 | 10.1016/j.ejmech.2010.07.044 | Acyl-CoA desaturase 1 | 1 |
| 20801551 | 10.1016/j.ejmech.2010.07.044 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine