Compound Detail
CHEMBL483108
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Basic Information
| ChEMBL ID | CHEMBL483108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIKRLFBUNSLPFP-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
426.3
MW (Da)
4.97
ALogP
4
HBA
3
HBD
79.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-431 CHEMBL614069 | IC50 | 5.47 | 5.29 | 3400.0 | 3 |
| Gallus gallus CHEMBL613109 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.64 | 4.64 | 22800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-431 | IC50 | = | 3400.0 | nM | 5.47 | Cytotoxicity against human A431 cells | 18467105 |
| A-431 | IC50 | = | 5900.0 | nM | 5.23 | Antiangiogenic activity against human A431 cells | 20403693 |
| Gallus gallus | IC50 | = | 6100.0 | nM | 5.21 | Antiangiogenic activity against fertile leghorn chicken eggs by CAM assay | 18467105 |
| A-431 | IC50 | = | 6800.0 | nM | 5.17 | Cytotoxicity against human A431 cells | 20403693 |
| Epidermal growth factor receptor | IC50 | = | 22800.0 | nM | 4.64 | Inhibition of EGFR | 20403693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20403693 | 10.1016/j.bmcl.2010.03.064 | A-431 | 2 |
| 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 |
| 20403693 | 10.1016/j.bmcl.2010.03.064 | Epidermal growth factor receptor | 1 |
| 20403693 | 10.1016/j.bmcl.2010.03.064 | Vascular endothelial growth factor receptor 1 | 1 |
| 20403693 | 10.1016/j.bmcl.2010.03.064 | Vascular endothelial growth factor receptor 2 | 1 |
| 20403693 | 10.1016/j.bmcl.2010.03.064 | Platelet-derived growth factor receptor beta | 1 |
Data from ChEMBL 36 via Core Engine