Compound Detail
CHEMBL85403
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 | CHEMBL85403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUMPCHAHZBLTKY-FLIBITNWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
2.82
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL3337 | IC50 | 4.51 | 4.51 | 30903.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL3516 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 510.0 | nM | 6.29 | Inhibition of PDK1 mediated cAKT2 phosphorylation by AKT2 activation assay | 17531483 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 30902.95 | nM | 4.51 | Inhibitory activity against vascular endothelial growth factor receptor 2 (FLK1) | 10956210 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 31000.0 | nM | 4.51 | Concentration required to achieve 50% inhibition of tyrosine phosphorylation on ... | 9651163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956210 | 10.1021/jm990609e | Vascular endothelial growth factor receptor 2 | 1 |
| 9651163 | 10.1021/jm980123i | Platelet-derived growth factor receptor beta | 1 |
| 9651163 | 10.1021/jm980123i | Vascular endothelial growth factor receptor 1 | 1 |
| 9651163 | 10.1021/jm980123i | Epidermal growth factor receptor | 1 |
| 9651163 | 10.1021/jm980123i | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 9651163 | 10.1021/jm980123i | Insulin-like growth factor 1 receptor | 1 |
| 17531483 | 10.1016/j.bmcl.2007.04.071 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine