Compound Detail
CHEMBL487227
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Basic Information
| ChEMBL ID | CHEMBL487227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAHRSPNDVKURFK-HZPDHXFCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
3.63
ALogP
6
HBA
3
HBD
82.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-tyrosine kinase 2-beta | IC50 | = | 53.0 | nM | 7.28 | Inhibition of GST-tagged pyk2 assessed as inhibition of poly-Glu-Tyr phosphoryla... | 18951788 |
| Focal adhesion kinase 1 | IC50 | = | 810.0 | nM | 6.09 | Inhibition of GST-tagged FAK assessed as inhibition of poly-Glu-Tyr phosphorylat... | 18951788 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19433356 | 10.1016/j.bmcl.2009.04.118 | Cytochrome P450 3A4 | 4 |
| 18951788 | 10.1016/j.bmcl.2008.10.030 | Focal adhesion kinase 1 | 1 |
| 18951788 | 10.1016/j.bmcl.2008.10.030 | Protein-tyrosine kinase 2-beta | 1 |
| 18951788 | 10.1016/j.bmcl.2008.10.030 | Liver microsomes | 1 |
| 19433356 | 10.1016/j.bmcl.2009.04.118 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine