Compound Detail
CHEMBL4548316
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Basic Information
| ChEMBL ID | CHEMBL4548316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHJBFEQZLKXMGF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
5.58
ALogP
7
HBA
2
HBD
105.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 7.76 | 7.76 | 17.3 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.52 | 7.52 | 30.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 | IC50 | = | 9.6 | nM | 8.02 | Inhibition of VEGFR1 (unknown origin) | 30600149 |
| Vascular endothelial growth factor receptor 3 | IC50 | = | 17.3 | nM | 7.76 | Inhibition of VEGFR3 (unknown origin) | 30600149 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 30.1 | nM | 7.52 | Inhibition of VEGFR2 (unknown origin) | 30600149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30600149 | 10.1016/j.bmc.2018.12.032 | Vascular endothelial growth factor receptor 2 | 1 |
| 30600149 | 10.1016/j.bmc.2018.12.032 | Vascular endothelial growth factor receptor 1 | 1 |
| 30600149 | 10.1016/j.bmc.2018.12.032 | Vascular endothelial growth factor receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine