Compound Detail
CHEMBL213458
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Basic Information
| ChEMBL ID | CHEMBL213458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APUUFTYSULQNTN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
296.7
MW (Da)
3.84
ALogP
4
HBA
2
HBD
77.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid synthase CHEMBL4158 | IC50 | 6.87 | 6.87 | 136.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid synthase | IC50 | = | 136.0 | nM | 6.87 | 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