Compound Detail
CHEMBL4069465
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Basic Information
| ChEMBL ID | CHEMBL4069465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMQZAJINZSNMES-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
340.2
MW (Da)
4.83
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA (8-3)-desaturase CHEMBL5727 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
| Acyl-CoA (8-3)-desaturase CHEMBL5840 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA (8-3)-desaturase | IC50 | = | 79.0 | nM | 7.1 | Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincub... | 29023121 |
| Acyl-CoA (8-3)-desaturase | IC50 | = | 150.0 | nM | 6.82 | 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 | Acyl-CoA (8-3)-desaturase | 2 |
Data from ChEMBL 36 via Core Engine