Compound Detail
CHEMBL3979428
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COC(=O)N1CC(c2nc(C)c(-c3cc(C(=O)N4CC(c5ccc(C#N)cc5)C4)ccc3C)[nH]2)C1
Basic Information
| ChEMBL ID | CHEMBL3979428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXZWKKQOIZBIBD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
3.97
ALogP
5
HBA
1
HBD
102.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid synthase CHEMBL4158 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid synthase | IC50 | = | 8.0 | nM | 8.1 | Biochemical Assay: The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a hum... | - |
| Fatty acid synthase | IC50 | = | 8.0 | nM | 8.1 | FASN Inhibition: FASN activity of the SKBr3 cell extract was determined by measu... | - |
Data from ChEMBL 36 via Core Engine