Compound Detail
CHEMBL3109276
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CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cc(-c4cccnc4)cc(-c4cccnc4)c3)o2)c1
Basic Information
| ChEMBL ID | CHEMBL3109276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NACPZCJMBBHZEB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
6.01
ALogP
8
HBA
1
HBD
107.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of GST-tagged recombinant human VEGFR2 expressed in Sf9 cells by radi... | 24368209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24368209 | 10.1016/j.ejmech.2013.11.023 | Vascular endothelial growth factor receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine