Compound Detail
CHEMBL482489
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Basic Information
| ChEMBL ID | CHEMBL482489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFOINLDOMHQFOQ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
442.8
MW (Da)
5.48
ALogP
4
HBA
3
HBD
79.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Gallus gallus CHEMBL613109 | IC50 | 5.0 | 5.0 | 10080.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 4.88 | 4.88 | 13200.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 4.49 | 4.49 | 32700.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.37 | 4.37 | 42300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of EGFR expressed in human tumor cells | 18467105 |
| Gallus gallus | IC50 | = | 10080.0 | nM | 5.0 | Antiangiogenic activity against fertile leghorn chicken eggs by CAM assay | 18467105 |
| A-431 | IC50 | = | 13200.0 | nM | 4.88 | Cytotoxicity against human A431 cells | 18467105 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 32700.0 | nM | 4.49 | Inhibition of VEGFR1 expressed in human tumor cells | 18467105 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 42300.0 | nM | 4.37 | Inhibition of VEGFR2 expressed in human tumor cells | 18467105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18467105 | 10.1016/j.bmc.2008.04.019 | Epidermal growth factor receptor | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | Vascular endothelial growth factor receptor 1 | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | Vascular endothelial growth factor receptor 2 | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | Platelet-derived growth factor receptor beta | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | A-431 | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | Gallus gallus | 1 |
Data from ChEMBL 36 via Core Engine