Compound Detail
CHEMBL191594
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CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OC4CCN(C)CC4)c(C(C)C)c23)c(F)cc1F
Basic Information
| ChEMBL ID | CHEMBL191594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZBQAOCZTUIYGZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
517.5
MW (Da)
3.81
ALogP
9
HBA
3
HBD
122.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor CHEMBL2095227 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor | IC50 | = | 19.0 | nM | 7.72 | Inhibition of VEGF-stimulated human umbilical vein endothelial cell proliferatio... | 15943473 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 36.0 | nM | 7.44 | Inhibition of human vascular endothelial growth factor receptor 2 kinase activit... | 15943473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15943473 | 10.1021/jm0501275 | ADMET | 2 |
| 15943473 | 10.1021/jm0501275 | Vascular endothelial growth factor receptor 2 | 1 |
| 15943473 | 10.1021/jm0501275 | Vascular endothelial growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine