Compound Detail
CHEMBL497563
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Basic Information
| ChEMBL ID | CHEMBL497563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEWLDVUSFNQXKA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
4.16
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Blood CHEMBL613416 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | Ki | = | 4.0 | nM | 8.4 | Displacement of fluorescent ATP competitive ligand from p38alpha | 18789685 |
| PBMC | IC50 | = | 200.0 | nM | 6.7 | Inhibition of LPS-stimulated TNFalpha release in human PBMCs | 18789685 |
| Blood | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of LPS-stimulated TNFalpha release in human whole blood | 18789685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18789685 | 10.1016/j.bmcl.2008.08.051 | Mitogen-activated protein kinase 14 | 1 |
| 18789685 | 10.1016/j.bmcl.2008.08.051 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 18789685 | 10.1016/j.bmcl.2008.08.051 | Cyclin-dependent kinase 2 | 1 |
| 18789685 | 10.1016/j.bmcl.2008.08.051 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 18789685 | 10.1016/j.bmcl.2008.08.051 | Epidermal growth factor receptor | 1 |
| 18789685 | 10.1016/j.bmcl.2008.08.051 | Receptor tyrosine-protein kinase erbB-4 | 1 |
| 18789685 | 10.1016/j.bmcl.2008.08.051 | Mitogen-activated protein kinase 10 | 1 |
| 18789685 | 10.1016/j.bmcl.2008.08.051 | Tyrosine-protein kinase Lck | 1 |
| 18789685 | 10.1016/j.bmcl.2008.08.051 | Serine/threonine-protein kinase PLK1 | 1 |
| 18789685 | 10.1016/j.bmcl.2008.08.051 | Serine/threonine-protein kinase Sgk1 | 1 |
| 18789685 | 10.1016/j.bmcl.2008.08.051 | Vascular endothelial growth factor receptor 2 | 1 |
| 18789685 | 10.1016/j.bmcl.2008.08.051 | PBMC | 1 |
| 18789685 | 10.1016/j.bmcl.2008.08.051 | Blood | 1 |
Data from ChEMBL 36 via Core Engine