Compound Detail
CHEMBL207491
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Basic Information
| ChEMBL ID | CHEMBL207491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXUQRSPUDDOQPA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
3.60
ALogP
9
HBA
2
HBD
120.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Focal adhesion kinase 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of FAK | 16524731 |
| Focal adhesion kinase 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of FAK (31-686) (unknown origin) using 32P-ATP after 2 hrs incubation... | 33488961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16524731 | 10.1016/j.bmcl.2006.02.032 | Focal adhesion kinase 1 | 1 |
| 33488961 | 10.1021/acsmedchemlett.0c00338 | Focal adhesion kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine