Compound Detail
CHEMBL2322659
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Basic Information
| ChEMBL ID | CHEMBL2322659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPDWPGOJRJFVMZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
5.43
ALogP
3
HBA
1
HBD
72.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid synthase CHEMBL4158 | IC50 | 6.01 | 6.01 | 980.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid synthase | IC50 | = | 980.0 | nM | 6.01 | Inhibition of human FASN assessed as release of co-enzyme A | 24900571 |
| Fatty acid synthase | IC50 | = | 980.0 | nM | 6.01 | Biochemical Assay: The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a hum... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900571 | 10.1021/ml300335r | Fatty acid synthase | 2 |
| 24900571 | 10.1021/ml300335r | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine