Compound Detail
CHEMBL5798346
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Basic Information
| ChEMBL ID | CHEMBL5798346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAHCKSHDDCJAPV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
352.3
MW (Da)
3.57
ALogP
6
HBA
1
HBD
86.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stearoyl-CoA desaturase CHEMBL5555 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Stearoyl-CoA desaturase 5 CHEMBL1275210 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stearoyl-CoA desaturase | IC50 | = | 10.0 | nM | 8.0 | Compound Profiling Methods: Strains expressing SCD1 or SCD5 as the sole desatura... | - |
| Stearoyl-CoA desaturase 5 | IC50 | = | 30.0 | nM | 7.52 | Compound Profiling Methods: Strains expressing SCD1 or SCD5 as the sole desatura... | - |
Data from ChEMBL 36 via Core Engine