Compound Detail
CHEMBL213583
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Basic Information
| ChEMBL ID | CHEMBL213583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCWQBXUQNXJCMY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
408.8
MW (Da)
5.78
ALogP
4
HBA
2
HBD
77.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid synthase CHEMBL4158 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid synthase | IC50 | = | 68.0 | nM | 7.17 | Inhibition of human FAS | 16784844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16784844 | 10.1016/j.bmcl.2006.06.014 | Fatty acid synthase | 1 |
Data from ChEMBL 36 via Core Engine