Compound Detail
CHEMBL485285
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Basic Information
| ChEMBL ID | CHEMBL485285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVUGBBNUQBSROH-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
5.36
ALogP
6
HBA
2
HBD
79.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Ki 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | Ki | = | 1.4 | nM | 8.85 | Displacement of fluorescent ATP competitive ligand from p38alpha | 18789685 |
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of MEK1 by cRaf/mek/Erk cascade assay | 18789685 |
| Tyrosine-protein kinase Lck | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of LCK | 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 |
Data from ChEMBL 36 via Core Engine