Compound Detail
CHEMBL477462
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Basic Information
| ChEMBL ID | CHEMBL477462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBKCSFOKIGPHML-CABCVRRESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.5
MW (Da)
4.81
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid synthase CHEMBL3783 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid synthase | IC50 | = | 790.0 | nM | 6.1 | Inhibition of rat liver FAS by Coomassie blue staining | 19223187 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19223187 | 10.1016/j.bmc.2009.01.050 | Fatty acid synthase | 1 |
| 19223187 | 10.1016/j.bmc.2009.01.050 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine