Compound Detail
CHEMBL436117
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CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCc4ccccc4)c(C(C)C)c23)c(F)cc1F
Basic Information
| ChEMBL ID | CHEMBL436117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPVAFAVLEHZTSB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.5
MW (Da)
4.91
ALogP
8
HBA
3
HBD
118.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of human vascular endothelial growth factor receptor 2 kinase activit... | 15943473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15943473 | 10.1021/jm0501275 | Vascular endothelial growth factor receptor 2 | 1 |
| 15943473 | 10.1021/jm0501275 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine