Compound Detail
CHEMBL3947822
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C=C(c1cccc(NC(=O)OCc2ccccc2)c1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1
Basic Information
| ChEMBL ID | CHEMBL3947822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRVKEMMUEIFDAL-OBGWFSINSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
7.54
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.42
Ki 1 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 9.19 | 9.19 | 0.6 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | Ki | = | 0.64 | nM | 9.19 | Inhibition of unphosphorylated human 50 residues truncated cytoplasmic domain of... | - |
| NON-PROTEIN TARGET | IC50 | = | 38.0 | nM | 7.42 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
Data from ChEMBL 36 via Core Engine