Compound Detail
CHEMBL306295
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Basic Information
| ChEMBL ID | CHEMBL306295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSNZPFYMIVNIMW-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
4.06
ALogP
5
HBA
2
HBD
70.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.17 | 6.17 | 670.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 500000.0 | nM | Mus musculus |
| Tmax | 0.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 | IC50 | = | 80.0 | nM | 7.1 | Inhibitory activity against Flt-kinase | 10882357 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 670.0 | nM | 6.17 | Inhibitory activity against kinase domain containing receptor (KDR/VEGFR2) | 10882357 |
| Platelet-derived growth factor receptor beta | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of PDGF- beta receptor kinase | 10882357 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of Proto-oncogene tyrosine-kinase c-Kit | 10882357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10882357 | 10.1021/jm9909443 | Vascular endothelial growth factor receptor 2 | 2 |
| 10882357 | 10.1021/jm9909443 | Vascular endothelial growth factor receptor 1 | 1 |
| 10882357 | 10.1021/jm9909443 | Platelet-derived growth factor receptor beta | 1 |
| 10882357 | 10.1021/jm9909443 | Mast/stem cell growth factor receptor Kit | 1 |
| 10882357 | 10.1021/jm9909443 | ADMET | 1 |
| 10882357 | 10.1021/jm9909443 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine