Compound Detail
CHEMBL487246
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Basic Information
| ChEMBL ID | CHEMBL487246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJMCNVUMRNUOKS-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
3.75
ALogP
7
HBA
3
HBD
113.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 8.4 | 8.225 | 4.0 | 2 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Serine/threonine-protein kinase ULK1 CHEMBL6006 | IC50 | 5.96 | 5.96 | 1100.0 | 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 (unknown origin) (410 to 689 residues) assessed as reduction i... | 33058670 |
| Focal adhesion kinase 1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of GST-tagged FAK assessed as inhibition of poly-Glu-Tyr phosphorylat... | 18951788 |
| Protein-tyrosine kinase 2-beta | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of pyk2 (unknown origin) | 33058670 |
| Serine/threonine-protein kinase ULK1 | IC50 | = | 1100.0 | nM | 5.96 | ULK1 inhibition assay: Gamma-32P assays to measure ULK1 kinase activity were per... | - |
| Serine/threonine-protein kinase ULK1 | IC50 | = | 1100.0 | nM | 5.96 | ULK1 inhibition assay: ULK1 inhibition assay is a screening assay to identify co... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 33058670 | 10.1021/acs.jmedchem.0c01248 | Focal adhesion kinase 1 | 1 |
| 33058670 | 10.1021/acs.jmedchem.0c01248 | Protein-tyrosine kinase 2-beta | 1 |
| 33058670 | 10.1021/acs.jmedchem.0c01248 | OVCAR-3 | 1 |
Data from ChEMBL 36 via Core Engine