Compound Detail
CHEMBL3921873
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Basic Information
| ChEMBL ID | CHEMBL3921873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPBXOSWKMSZBCC-NTCAYCPXSA-N |
2
Targets
3
Activities
2
Assay Types
6
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
6.17
ALogP
4
HBA
2
HBD
79.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.15
Ki 1 meas. best 9.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 9.54 | 9.54 | 0.3 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 9.15 | 8.575 | 0.7 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 40863.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 47538.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 33527.56 | nM | Mus musculus |
| Cmax | 30105.44 | nM | Mus musculus |
| T1/2 | 1.6 | hr | Mus musculus |
| T1/2 | 2.4 | 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 | = | 0.29 | nM | 9.54 | Inhibition of unphosphorylated human 50 residues truncated cytoplasmic domain of... | - |
| NON-PROTEIN TARGET | IC50 | = | 0.7 | nM | 9.15 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| NON-PROTEIN TARGET | IC50 | = | 10.0 | nM | 8.0 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
Data from ChEMBL 36 via Core Engine