Compound Detail
CHEMBL496575
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Basic Information
| ChEMBL ID | CHEMBL496575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLUPOKVTJQLXSE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
4.02
ALogP
8
HBA
1
HBD
74.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of VEGFR2 by HTRF assay | 18835709 |
| Cyclin-dependent kinase 4 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of CDK4 by radioactive glutathione plate-binding assay | 18835709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18835709 | 10.1016/j.bmcl.2008.09.069 | Cyclin-dependent kinase 4 | 1 |
| 18835709 | 10.1016/j.bmcl.2008.09.069 | Vascular endothelial growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine