Compound Detail
CHEMBL409867
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL409867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKFMTQRFZPFQOL-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
6
PK Parameters
7
Publications
0
Known Names
Molecular Properties
504.9
MW (Da)
5.22
ALogP
6
HBA
2
HBD
116.0
PSA (Ų)
0.38
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| HUVEC CHEMBL613979 | IC50 | 9.0 | 7.77 | 1.0 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4500.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 3.167 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1623.99 | nM | Rattus norvegicus |
| F | 46.0 | % | Rattus norvegicus |
| T1/2 | 2.6 | hr | Rattus norvegicus |
| Tmax | 2.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 0.6 | nM | 9.22 | Inhibition of KDR by HTRF assay | 18311900 |
| HUVEC | IC50 | = | 1.0 | nM | 9.0 | Inhibition of VEGF-induced proliferation of HUVEC cells | 18311900 |
| Tyrosine-protein kinase Lck | IC50 | = | 21.0 | nM | 7.68 | Inhibition of Lck | 18311900 |
| Hepatocyte growth factor receptor | IC50 | = | 160.0 | nM | 6.8 | Inhibition of c-Met | 18311900 |
| Angiopoietin-1 receptor | IC50 | = | 290.0 | nM | 6.54 | Inhibition of Tie2 | 18311900 |
| HUVEC | IC50 | = | 290.0 | nM | 6.54 | Inhibition of FGF-induced proliferation of HUVEC cells | 18311900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18311900 | 10.1021/jm701129j | Rattus norvegicus | 7 |
| 18311900 | 10.1021/jm701129j | HUVEC | 2 |
| 18311900 | 10.1021/jm701129j | Liver microsomes | 2 |
| 18311900 | 10.1021/jm701129j | Tyrosine-protein kinase Lck | 1 |
| 18311900 | 10.1021/jm701129j | Angiopoietin-1 receptor | 1 |
| 18311900 | 10.1021/jm701129j | Hepatocyte growth factor receptor | 1 |
| 18311900 | 10.1021/jm701129j | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine