Compound Detail
CHEMBL199573
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COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCOCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
Basic Information
| ChEMBL ID | CHEMBL199573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPKLCZINGKURTD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
623.9
MW (Da)
6.50
ALogP
8
HBA
2
HBD
143.4
PSA (Ų)
0.05
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor CHEMBL2095227 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor | IC50 | = | 3200.0 | nM | 5.5 | Inhibitory activity against VEGF-stimulated proliferation in HUVEC | 16216503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16216503 | 10.1016/j.bmcl.2005.09.036 | Vascular endothelial growth factor receptor 2 | 1 |
| 16216503 | 10.1016/j.bmcl.2005.09.036 | Vascular endothelial growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine