Compound Detail
CHEMBL4087912
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Basic Information
| ChEMBL ID | CHEMBL4087912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLHDVCUPLYHHFV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
3.40
ALogP
3
HBA
0
HBD
53.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA (8-3)-desaturase CHEMBL5727 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| Acyl-CoA (8-3)-desaturase CHEMBL5840 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA (8-3)-desaturase | IC50 | = | 78.0 | nM | 7.11 | Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincub... | 29023121 |
| Acyl-CoA (8-3)-desaturase | IC50 | = | 170.0 | nM | 6.77 | Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]D... | 29023121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29023121 | 10.1021/acs.jmedchem.7b01210 | Liver | 2 |
| 29023121 | 10.1021/acs.jmedchem.7b01210 | Acyl-CoA (8-3)-desaturase | 2 |
Data from ChEMBL 36 via Core Engine