Compound Detail
CHEMBL3925855
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Basic Information
| ChEMBL ID | CHEMBL3925855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZIBPVNJMUTPLI-DHZHZOJOSA-N |
2
Targets
3
Activities
2
Assay Types
3
PK Parameters
0
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
4.91
ALogP
6
HBA
2
HBD
97.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.21
Ki 1 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 10.7 | 10.7 | 0.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.21 | 8.14 | 6.2 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 30339.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 11455.28 | nM | Mus musculus |
| T1/2 | 13.1 | hr | 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 | = | 0.02 | nM | 10.7 | Inhibition of unphosphorylated human 50 residues truncated cytoplasmic domain of... | - |
| NON-PROTEIN TARGET | IC50 | = | 6.2 | nM | 8.21 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| NON-PROTEIN TARGET | IC50 | = | 8.6 | nM | 8.07 | Antiproliferative activity against VEGF-stimulated human MV522 cells assessed as... | - |
Data from ChEMBL 36 via Core Engine