Compound Detail
CHEMBL505253
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Basic Information
| ChEMBL ID | CHEMBL505253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IINDUQOQNFCDNN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
2.55
ALogP
5
HBA
3
HBD
92.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 3 | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of human recombinant VEGFR3 | 18529047 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of human recombinant VEGFR2 | 18529047 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 44000.0 | nM | 4.36 | Inhibition of human recombinant FLT3 | 18529047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18529047 | 10.1021/jm8001185 | Vascular endothelial growth factor receptor 2 | 1 |
| 18529047 | 10.1021/jm8001185 | Vascular endothelial growth factor receptor 3 | 1 |
| 18529047 | 10.1021/jm8001185 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine