Compound Detail
CHEMBL413773
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Basic Information
| ChEMBL ID | CHEMBL413773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHJYCGCXAYLWFD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
282.2
MW (Da)
3.22
ALogP
5
HBA
2
HBD
96.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid synthase CHEMBL3783 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Fatty acid synthase CHEMBL4158 | IC50 | 5.85 | 5.85 | 1403.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid synthase | IC50 | = | 550.0 | nM | 6.26 | Inhibition of rat FAS | 16784844 |
| Fatty acid synthase | IC50 | = | 1403.0 | nM | 5.85 | Inhibition of human FAS | 16784844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16784844 | 10.1016/j.bmcl.2006.06.014 | Fatty acid synthase | 2 |
Data from ChEMBL 36 via Core Engine