Compound Detail
CHEMBL450519
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Basic Information
| ChEMBL ID | CHEMBL450519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIGMIXWAESLRNR-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
2.31
ALogP
6
HBA
3
HBD
89.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-tyrosine kinase 6 CHEMBL4601 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| Tyrosine-protein kinase FRK CHEMBL4223 | Kd | 8.22 | 8.22 | 6.0 | 1 |
| Tyrosine-protein kinase Fgr CHEMBL4454 | Kd | 8.15 | 8.15 | 7.0 | 1 |
| Ephrin type-A receptor 1 CHEMBL5810 | Kd | 8.0 | 8.0 | 10.0 | 1 |
| Tyrosine-protein kinase TXK CHEMBL4367 | Kd | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-tyrosine kinase 6 | Kd | = | 2.0 | nM | 8.7 | Binding affinity to human BRK | 19035792 |
| Tyrosine-protein kinase FRK | Kd | = | 6.0 | nM | 8.22 | Binding affinity to human FRK | 19035792 |
| Tyrosine-protein kinase Fgr | Kd | = | 7.0 | nM | 8.15 | Binding affinity to human FGR | 19035792 |
| Ephrin type-A receptor 1 | Kd | = | 10.0 | nM | 8.0 | Binding affinity to human EPHA1 | 19035792 |
| Tyrosine-protein kinase TXK | Kd | = | 80.0 | nM | 7.1 | Binding affinity to human TXK | 19035792 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19035792 | 10.1021/jm8011036 | Unchecked | 8 |
| 19035792 | 10.1021/jm8011036 | Tyrosine-protein kinase Fgr | 2 |
| 19035792 | 10.1021/jm8011036 | Mitogen-activated protein kinase kinase kinase kinase 4 | 2 |
| 19035792 | 10.1021/jm8011036 | Atypical kinase COQ8B, mitochondrial | 2 |
| 19035792 | 10.1021/jm8011036 | Ribosomal protein S6 kinase alpha-4 | 2 |
| 19035792 | 10.1021/jm8011036 | Tyrosine-protein kinase FRK | 2 |
| 19035792 | 10.1021/jm8011036 | Ephrin type-A receptor 1 | 2 |
| 19035792 | 10.1021/jm8011036 | Protein-tyrosine kinase 6 | 2 |
| 19035792 | 10.1021/jm8011036 | Tyrosine-protein kinase TXK | 2 |
| 19035792 | 10.1021/jm8011036 | RAC-alpha serine/threonine-protein kinase | 1 |
| 19035792 | 10.1021/jm8011036 | RAC-beta serine/threonine-protein kinase | 1 |
| 19035792 | 10.1021/jm8011036 | RAC-gamma serine/threonine-protein kinase | 1 |
| 19035792 | 10.1021/jm8011036 | Protein kinase C alpha type | 1 |
| 19035792 | 10.1021/jm8011036 | Serine/threonine-protein kinase N2 | 1 |
| 19035792 | 10.1021/jm8011036 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 19035792 | 10.1021/jm8011036 | Ribosomal protein S6 kinase alpha-1 | 1 |
| 19035792 | 10.1021/jm8011036 | Ribosomal protein S6 kinase alpha-3 | 1 |
| 19035792 | 10.1021/jm8011036 | cAMP-dependent protein kinase catalytic subunit PRKX | 1 |
| 19035792 | 10.1021/jm8011036 | Protein kinase C beta type | 1 |
| 19035792 | 10.1021/jm8011036 | Serine/threonine-protein kinase MRCK alpha | 1 |
Data from ChEMBL 36 via Core Engine