Compound Detail
CHEMBL90277
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 | CHEMBL90277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBPBXFBACWNRGQ-LGMDPLHJSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.32
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL3337 | IC50 | 5.68 | 5.68 | 2089.3 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL3516 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 4.3 | 4.3 | 49900.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 4.18 | 4.18 | 66600.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2089.3 | nM | 5.68 | Inhibitory activity against vascular endothelial growth factor receptor 2 (FLK1) | 10956210 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 2100.0 | nM | 5.68 | Concentration required to achieve 50% inhibition of tyrosine phosphorylation on ... | 9651163 |
| Platelet-derived growth factor receptor beta | IC50 | = | 49900.0 | nM | 4.3 | Test concentration required to achieve 50% inhibition of tyrosine phosphorylatio... | 9651163 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 66600.0 | nM | 4.18 | Concentration required to achieve 50% inhibition of tyrosine phosphorylation on ... | 9651163 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells | 20117004 |
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 |
| 20117004 | 10.1016/j.bmc.2010.01.011 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
Data from ChEMBL 36 via Core Engine