Compound Detail
CHEMBL118400
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Basic Information
| ChEMBL ID | CHEMBL118400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZNBJKPMALDRGE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
10
Publications
0
Known Names
Molecular Properties
434.6
MW (Da)
2.92
ALogP
8
HBA
0
HBD
58.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Vascular endothelial growth factor receptor CHEMBL2095227 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 56.0 | % | Rattus norvegicus |
| T1/2 | 3.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of Vascular endothelial growth factor receptor 2 | 12443771 |
| Vascular endothelial growth factor receptor | IC50 | = | 20.0 | nM | 7.7 | Inhibition of VEGF-stimulated mitogenesis in endothelial cells | 12443771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12443771 | 10.1016/s0960-894x(02)00827-2 | Rattus norvegicus | 4 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | Vascular endothelial growth factor receptor 2 | 1 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | Vascular endothelial growth factor receptor | 1 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | No relevant target | 1 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta) | 1 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | Vascular endothelial growth factor receptor 1 and 2 (Flt-1 and KDR) | 1 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | Vascular endothelial growth factor receptor 2 and 3 (KDR and Flt-4) | 1 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | VEGF-receptor 2 and Fibroblast growth factor receptor 1 | 1 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | VEGF-receptor 2 and Fibroblast growth factor receptor 2 | 1 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | VEGF-receptor 2 and tyrosine-protein kinase SRC | 1 |
Data from ChEMBL 36 via Core Engine