Compound Detail
CHEMBL370266
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Basic Information
| ChEMBL ID | CHEMBL370266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYGDYCMPYIUPHS-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
504.5
MW (Da)
3.89
ALogP
9
HBA
3
HBD
128.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor CHEMBL2095227 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.24 | 6.905 | 58.0 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor | IC50 | = | 46.0 | nM | 7.34 | Inhibition of VEGF-stimulated human umbilical vein endothelial cell proliferatio... | 15943473 |
| Fibroblast growth factor receptor 1 | IC50 | = | 46.0 | nM | 7.34 | Inhibition of human fibroblast growth factor receptor 1 | 15943473 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 58.0 | nM | 7.24 | Inhibition of human vascular endothelial growth factor receptor 2 kinase activit... | 15943473 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 270.0 | nM | 6.57 | Inhibition of human vascular endothelial growth factor receptor 2 (Flk-1) | 15943473 |
| Tyrosine-protein kinase Lck | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of human p56 lck tyrosine kinase | 15943473 |
| Epidermal growth factor receptor | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of human epidermal growth factor receptor (HER-1) | 15943473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15943473 | 10.1021/jm0501275 | Vascular endothelial growth factor receptor 2 | 2 |
| 15943473 | 10.1021/jm0501275 | ADMET | 2 |
| 15943473 | 10.1021/jm0501275 | Protein kinase C alpha type | 1 |
| 15943473 | 10.1021/jm0501275 | Cyclin-dependent kinase 2 | 1 |
| 15943473 | 10.1021/jm0501275 | Vascular endothelial growth factor receptor | 1 |
| 15943473 | 10.1021/jm0501275 | Fibroblast growth factor receptor 1 | 1 |
| 15943473 | 10.1021/jm0501275 | Epidermal growth factor receptor | 1 |
| 15943473 | 10.1021/jm0501275 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 15943473 | 10.1021/jm0501275 | Platelet-derived growth factor receptor beta | 1 |
| 15943473 | 10.1021/jm0501275 | Insulin-like growth factor 1 receptor | 1 |
| 15943473 | 10.1021/jm0501275 | Tyrosine-protein kinase Lck | 1 |
Data from ChEMBL 36 via Core Engine