Compound Detail
CHEMBL258694
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Basic Information
| ChEMBL ID | CHEMBL258694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQNDDQQRHZEHDD-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
7
PK Parameters
12
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.83
ALogP
8
HBA
2
HBD
109.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.73 | 6.73 | 185.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 6.41 | 6.41 | 389.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4642.68 | ng.hr.mL-1 | Mus musculus |
| AUC | 8124.7 | ng.hr.mL-1 | Mus musculus |
| CL | 18.0 | mL.min-1.kg-1 | Mus musculus |
| F | 29.0 | % | Mus musculus |
| MRT | 1.7 | hr | Mus musculus |
| T1/2 | 1.2 | hr | Mus musculus |
| T1/2 | 4.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of human VEGFR2 | 18395443 |
| Fibroblast growth factor receptor 1 | IC50 | = | 61.0 | nM | 7.21 | Inhibition of FGFR1 | 18395443 |
| Epidermal growth factor receptor | IC50 | = | 150.0 | nM | 6.82 | Inhibition of EGFR | 18395443 |
| Tyrosine-protein kinase Lck | IC50 | = | 185.0 | nM | 6.73 | Inhibition of LCK | 18395443 |
| Platelet-derived growth factor receptor beta | IC50 | = | 389.0 | nM | 6.41 | Inhibition of PDGFRbeta | 18395443 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of HER2 | 18395443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18395443 | 10.1016/j.bmcl.2008.03.057 | Mus musculus | 8 |
| 18395443 | 10.1016/j.bmcl.2008.03.057 | Vascular endothelial growth factor receptor 2 | 2 |
| 18395443 | 10.1016/j.bmcl.2008.03.057 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 18395443 | 10.1016/j.bmcl.2008.03.057 | Vascular endothelial growth factor receptor 1 | 1 |
| 18395443 | 10.1016/j.bmcl.2008.03.057 | Cytochrome P450 3A4 | 1 |
| 18395443 | 10.1016/j.bmcl.2008.03.057 | Fibroblast growth factor receptor 1 | 1 |
| 18395443 | 10.1016/j.bmcl.2008.03.057 | Platelet-derived growth factor receptor beta | 1 |
| 18395443 | 10.1016/j.bmcl.2008.03.057 | Epidermal growth factor receptor | 1 |
| 18395443 | 10.1016/j.bmcl.2008.03.057 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 18395443 | 10.1016/j.bmcl.2008.03.057 | Tyrosine-protein kinase Lck | 1 |
| 18395443 | 10.1016/j.bmcl.2008.03.057 | Protein kinase C alpha type | 1 |
| 18395443 | 10.1016/j.bmcl.2008.03.057 | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine