Compound Detail
CHEMBL182904
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 | CHEMBL182904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVQMLFXNGDWRJW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.7
MW (Da)
3.89
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.69 | 5.69 | 2040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human Glycogen synthase kinase-3 beta | 15225695 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2040.0 | nM | 5.69 | Inhibition of Vascular endothelial growth factor receptor 2 kinase | 15225695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Glycogen synthase kinase-3 beta | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Cyclin-dependent kinase 2 | 1 |
| 15225695 | 10.1016/j.bmcl.2004.05.064 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine