Compound Detail
CHEMBL271188
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 | CHEMBL271188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYFBDMFXIXDJSD-UHFFFAOYSA-N |
9
Targets
11
Activities
1
Assay Types
8
PK Parameters
19
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
4.57
ALogP
6
HBA
1
HBD
78.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 9.19 | 7.565 | 0.6 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.92 | 7.92 | 12.0 | 2 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | IC50 | 6.56 | 6.56 | 275.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3771.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 224.89 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 8.867 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1255.55 | nM | Rattus norvegicus |
| Cmax | 40.0 | nM | Rattus norvegicus |
| F | 99.0 | % | Rattus norvegicus |
| T1/2 | 1.6 | hr | Rattus norvegicus |
| Tmax | 2.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 0.64 | nM | 9.19 | Inhibition of VEGF-induced proliferation of HUVEC | 18324759 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of KDR | 18324759 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 12.02 | nM | 7.92 | Inhibition of human VEGFR2 after 60 mins | 19081278 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 73.0 | nM | 7.14 | Inhibition of human VEGFR1 | 18324759 |
| Aurora kinase B | IC50 | = | 130.0 | nM | 6.89 | Inhibition of Aurora B | 18324759 |
| Tyrosine-protein kinase Lyn | IC50 | = | 275.0 | nM | 6.56 | Inhibition of Lyn | 18324759 |
| HUVEC | IC50 | = | 1140.0 | nM | 5.94 | Inhibition of bFGF-induced proliferation of HUVEC | 18324759 |
| Tyrosine-protein kinase Lck | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of Lck | 18324759 |
| Aurora kinase A | IC50 | = | 7200.0 | nM | 5.14 | Inhibition of Aurora A | 18324759 |
| Hepatocyte growth factor receptor | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of c-Met | 18324759 |
| Angiopoietin-1 receptor | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of Tie2 | 18324759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18324759 | 10.1021/jm701098w | Rattus norvegicus | 10 |
| 18324759 | 10.1021/jm701098w | Liver microsomes | 8 |
| 18324759 | 10.1021/jm701098w | HUVEC | 3 |
| 18324759 | 10.1021/jm701098w | No relevant target | 1 |
| 19081278 | 10.1016/j.jmgm.2008.10.006 | Vascular endothelial growth factor receptor 2 | 1 |
| 18324759 | 10.1021/jm701098w | Vascular endothelial growth factor receptor 1 | 1 |
| 18324759 | 10.1021/jm701098w | Tyrosine-protein kinase Lyn | 1 |
| 18324759 | 10.1021/jm701098w | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 18324759 | 10.1021/jm701098w | Macrophage colony-stimulating factor 1 receptor | 1 |
| 18324759 | 10.1021/jm701098w | Mast/stem cell growth factor receptor Kit | 1 |
| 18324759 | 10.1021/jm701098w | Platelet-derived growth factor receptor alpha | 1 |
| 18324759 | 10.1021/jm701098w | Vascular endothelial growth factor receptor 3 | 1 |
| 18324759 | 10.1021/jm701098w | Mus musculus | 1 |
| 18324759 | 10.1021/jm701098w | Aurora kinase B | 1 |
| 18324759 | 10.1021/jm701098w | Aurora kinase A | 1 |
| 18324759 | 10.1021/jm701098w | Tyrosine-protein kinase Lck | 1 |
| 18324759 | 10.1021/jm701098w | Hepatocyte growth factor receptor | 1 |
| 18324759 | 10.1021/jm701098w | Angiopoietin-1 receptor | 1 |
| 18324759 | 10.1021/jm701098w | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine