Compound Detail
CHEMBL89505
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 | CHEMBL89505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUMNJHZZSGKINB-WJDWOHSUSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
5.48
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.67
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL3516 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 4.3 | 4.3 | 49500.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 4.19 | 4.19 | 64800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 7900.0 | nM | 5.1 | Concentration required to achieve 50% inhibition of tyrosine phosphorylation on ... | 9651163 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 8400.0 | nM | 5.08 | Concentration required to achieve 50% inhibition of tyrosine phosphorylation on ... | 9651163 |
| Insulin-like growth factor 1 receptor | IC50 | = | 49500.0 | nM | 4.3 | Concentration required to achieve 50% inhibition of tyrosine phosphorylation on ... | 9651163 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 64800.0 | nM | 4.19 | Concentration required to achieve 50% inhibition of tyrosine phosphorylation on ... | 9651163 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 65000.0 | nM | 4.19 | Inhibition of HER2 | 18500794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 18500794 | 10.1021/jm7013875 | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine