Compound Detail
CHEMBL3983146
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Cc1nc(C(F)(F)F)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C)[nH]1
Basic Information
| ChEMBL ID | CHEMBL3983146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLBIPTFGFMMHEE-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
4.82
ALogP
3
HBA
1
HBD
72.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.82
EC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.52 | 7.975 | 3.0 | 2 |
| Fatty acid synthase CHEMBL4158 | IC50 | 7.82 | 7.665 | 15.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 3.0 | nM | 8.52 | Antiviral Activity: The antiviral activities of the compounds were assessed usin... | - |
| Fatty acid synthase | IC50 | = | 15.0 | nM | 7.82 | Biochemical Assay: The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a hum... | - |
| Fatty acid synthase | IC50 | = | 15.0 | nM | 7.82 | FASN Inhibition: FASN activity of the SKBr3 cell extract was determined by measu... | - |
| Fatty acid synthase | IC50 | = | 31.0 | nM | 7.51 | Biochemical Assay: The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a hum... | - |
| Fatty acid synthase | IC50 | = | 31.0 | nM | 7.51 | FASN Inhibition: FASN activity of the SKBr3 cell extract was determined by measu... | - |
| Unchecked | EC50 | = | 37.0 | nM | 7.43 | Antiviral Activity: The antiviral activities of the compounds were assessed usin... | - |
Data from ChEMBL 36 via Core Engine