Compound Detail
CHEMBL3933878
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Cc1ccc(C(=O)N2CC(F)(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2(C)CCOCC2)nc1Cl
Basic Information
| ChEMBL ID | CHEMBL3933878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIEBQACSULODTE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
493.0
MW (Da)
5.30
ALogP
4
HBA
1
HBD
82.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
EC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Fatty acid synthase CHEMBL4158 | IC50 | 7.8 | 7.8 | 16.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 5.0 | nM | 8.3 | Antiviral Activity: The antiviral activities of the compounds were assessed usin... | - |
| Fatty acid synthase | IC50 | = | 16.0 | nM | 7.8 | Biochemical Assay: The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a hum... | - |
| Fatty acid synthase | IC50 | = | 16.0 | nM | 7.8 | FASN Inhibition: FASN activity of the SKBr3 cell extract was determined by measu... | - |
Data from ChEMBL 36 via Core Engine