Compound Detail
CHEMBL206927
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COC(=O)CNC(=O)c1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)n1
Basic Information
| ChEMBL ID | CHEMBL206927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XONBZWAFRNHYQF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
492.5
MW (Da)
2.49
ALogP
11
HBA
2
HBD
138.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 6.26 | 6.26 | 544.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Focal adhesion kinase 1 | IC50 | = | 544.0 | nM | 6.26 | 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