Compound Detail
CHEMBL514014
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Basic Information
| ChEMBL ID | CHEMBL514014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAHJYUHWGCMOFT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
484.4
MW (Da)
4.66
ALogP
7
HBA
3
HBD
107.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.03 | 5.03 | 9420.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 4.83 | 4.83 | 14700.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 4.38 | 4.38 | 42100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 9420.0 | nM | 5.03 | Inhibition of VEGFR2 | 22370340 |
| Platelet-derived growth factor receptor beta | IC50 | = | 14700.0 | nM | 4.83 | Inhibition of PDGFRbeta | 22370340 |
| A-431 | IC50 | = | 42100.0 | nM | 4.38 | Cytotoxicity against human A431 cells overexpressing EGFR | 22370340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19170633 | 10.1021/jm800829v | Epidermal growth factor receptor | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | Epidermal growth factor receptor | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | Vascular endothelial growth factor receptor 1 | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | Vascular endothelial growth factor receptor 2 | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | Platelet-derived growth factor receptor beta | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | A-431 | 1 |
Data from ChEMBL 36 via Core Engine