Compound Detail
CHEMBL474538
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Basic Information
| ChEMBL ID | CHEMBL474538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAYLTVRTYJGALT-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
444.3
MW (Da)
5.79
ALogP
4
HBA
3
HBD
79.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gallus gallus CHEMBL613109 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.29 | 5.0367 | 5080.0 | 3 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 4.8 | 4.7467 | 16000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gallus gallus | IC50 | = | 53.0 | nM | 7.28 | Antiangiogenic activity against fertile leghorn chicken eggs by CAM assay | 18467105 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 5080.0 | nM | 5.29 | Inhibition of VEGFR2 expressed in human tumor cells | 18467105 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 5080.0 | nM | 5.29 | Inhibition of VEGFR2 | 22370340 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of VEGFR1 tyrosine kinase activity in VEGF-stimulated human A498 cell... | 22204741 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 19200.0 | nM | 4.72 | Inhibition of VEGFR1 expressed in human tumor cells | 18467105 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 19200.0 | nM | 4.72 | Inhibition of VEGFR1 | 22370340 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 29800.0 | nM | 4.53 | Inhibition of VEGFR2 tyrosine kinase activity in VEGF-stimulated human U251 cell... | 22204741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22204741 | 10.1016/j.bmc.2011.11.058 | Vascular endothelial growth factor receptor 2 | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | A-431 | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | Platelet-derived growth factor receptor beta | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | Vascular endothelial growth factor receptor 2 | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | Vascular endothelial growth factor receptor 1 | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | Epidermal growth factor receptor | 1 |
| 22204741 | 10.1016/j.bmc.2011.11.058 | A-431 | 1 |
| 22204741 | 10.1016/j.bmc.2011.11.058 | Platelet-derived growth factor receptor beta | 1 |
| 22204741 | 10.1016/j.bmc.2011.11.058 | Vascular endothelial growth factor receptor 1 | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | Epidermal growth factor receptor | 1 |
| 22204741 | 10.1016/j.bmc.2011.11.058 | Epidermal growth factor receptor | 1 |
| 19170633 | 10.1021/jm800829v | Epidermal growth factor receptor | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | Gallus gallus | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | A-431 | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | Platelet-derived growth factor receptor beta | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | Vascular endothelial growth factor receptor 2 | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | Vascular endothelial growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine