Compound Detail
CHEMBL3956618
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Basic Information
| ChEMBL ID | CHEMBL3956618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSJVSTLGXAQLHH-CSKARUKUSA-N |
2
Targets
3
Activities
2
Assay Types
6
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
5.01
ALogP
5
HBA
2
HBD
100.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Ki 1 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 9.59 | 9.59 | 0.3 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.7 | 8.355 | 2.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 759.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 5868.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 1194.22 | nM | Mus musculus |
| Cmax | 2244.77 | nM | Mus musculus |
| T1/2 | 1.1 | hr | Mus musculus |
| T1/2 | 4.7 | 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 | = | 0.26 | nM | 9.59 | Inhibition of unphosphorylated human 50 residues truncated cytoplasmic domain of... | - |
| NON-PROTEIN TARGET | IC50 | = | 2.0 | nM | 8.7 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| NON-PROTEIN TARGET | IC50 | = | 9.8 | nM | 8.01 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
Data from ChEMBL 36 via Core Engine