Compound Detail
CHEMBL1956885
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Basic Information
| ChEMBL ID | CHEMBL1956885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHWUBFBUCSKQSU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
428.7
MW (Da)
5.29
ALogP
4
HBA
3
HBD
79.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.08 | 5.08 | 8280.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.76 | 4.76 | 17420.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 4.54 | 4.54 | 28600.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 4.37 | 4.37 | 42700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 8280.0 | nM | 5.08 | Inhibition of VEGFR2 | 22370340 |
| Epidermal growth factor receptor | IC50 | = | 17420.0 | nM | 4.76 | Inhibition of EGFR | 22370340 |
| A-431 | IC50 | = | 28600.0 | nM | 4.54 | Cytotoxicity against human A431 cells overexpressing EGFR | 22370340 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 42700.0 | nM | 4.37 | Inhibition of VEGFR1 | 22370340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22370340 | 10.1016/j.bmc.2012.01.029 | A-431 | 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 |
Data from ChEMBL 36 via Core Engine