Compound Detail
CHEMBL382979
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Basic Information
| ChEMBL ID | CHEMBL382979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WALBWDUVJYSLBL-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.9
MW (Da)
5.24
ALogP
5
HBA
3
HBD
92.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.52 | 8.4025 | 3.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibitory concentration against human KDR kinase expressed in NIH3T3 cells with... | 16162008 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of KDR | 17306530 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 3.02 | nM | 8.52 | Inhibition of KDR | 17293140 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 9.0 | nM | 8.05 | Cellular inhibition of VEGF induced human KDR phosphorylation in 3T3 murine fibr... | 16162008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16162008 | 10.1021/jm050458h | Vascular endothelial growth factor receptor 2 | 2 |
| 16162008 | 10.1021/jm050458h | Mus musculus | 1 |
| 17306530 | 10.1016/j.bmcl.2007.01.089 | Vascular endothelial growth factor receptor 2 | 1 |
| 17293140 | 10.1016/j.jmgm.2006.12.001 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine