Compound Detail
CHEMBL521887
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Basic Information
| ChEMBL ID | CHEMBL521887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYCITBYBDPSBBJ-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
5.21
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.4
Ki 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Receptor tyrosine-protein kinase erbB-4 CHEMBL3009 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of cFMS | 18789685 |
| Tyrosine-protein kinase Lck | IC50 | = | 70.0 | nM | 7.16 | Inhibition of LCK | 18789685 |
| Receptor tyrosine-protein kinase erbB-4 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of ErbB4 | 18789685 |
| Epidermal growth factor receptor | IC50 | = | 700.0 | nM | 6.16 | Inhibition of EGFR | 18789685 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of VEGFR2 | 18789685 |
| Mitogen-activated protein kinase 14 | Ki | = | 830.0 | nM | 6.08 | Displacement of fluorescent ATP competitive ligand from p38alpha | 18789685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine