Compound Detail
CHEMBL382192
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COC(=O)CNC(=O)CCc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1
Basic Information
| ChEMBL ID | CHEMBL382192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFLUFQMDSVMJFD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
519.6
MW (Da)
3.41
ALogP
10
HBA
2
HBD
125.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 6.47 | 6.47 | 339.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Focal adhesion kinase 1 | IC50 | = | 339.0 | nM | 6.47 | Inhibition of FAK | 16524731 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16524731 | 10.1016/j.bmcl.2006.02.032 | Focal adhesion kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine