Compound Detail
CHEMBL3941907
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Basic Information
| ChEMBL ID | CHEMBL3941907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVVWLGIRUFLAMH-SAPNQHFASA-N |
2
Targets
5
Activities
2
Assay Types
1
PK Parameters
0
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
6.22
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.54
Ki 2 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 9.31 | 8.745 | 0.5 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.54 | 8.16 | 2.9 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 67.64 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | Ki | = | 0.49 | nM | 9.31 | Inhibition of unphosphorylated human 50 residues truncated cytoplasmic domain of... | - |
| NON-PROTEIN TARGET | IC50 | = | 2.9 | nM | 8.54 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| NON-PROTEIN TARGET | IC50 | = | 4.3 | nM | 8.37 | Antiproliferative activity against VEGF-stimulated human MV522 cells assessed as... | - |
| Vascular endothelial growth factor receptor 2 | Ki | = | 6.6 | nM | 8.18 | Inhibition of human 50 residues truncated cytoplasmic domain of phosphorylated V... | - |
| NON-PROTEIN TARGET | IC50 | = | 27.0 | nM | 7.57 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
Data from ChEMBL 36 via Core Engine