Compound Detail
CHEMBL3646810
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COc1ccc(-c2ccc(-n3c(C[C@@H]4CCN(C(=O)C5CC5)C4)n[nH]c3=O)c(F)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL3646810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNHPSGZCWJSENS-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
3.18
ALogP
5
HBA
1
HBD
80.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid synthase CHEMBL4158 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid synthase | IC50 | = | 40.0 | nM | 7.4 | Biological Assay: Assay #1:Inhibition of FAS activity can be measured based on t... | - |
Data from ChEMBL 36 via Core Engine