Compound Detail
CHEMBL379495
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Basic Information
| ChEMBL ID | CHEMBL379495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRNNWQGRVMEXRL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
433.6
MW (Da)
4.99
ALogP
8
HBA
1
HBD
86.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of CDK2 | 16789733 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of VEGFR2 | 16789733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16789733 | 10.1021/jm060347y | Cyclin-dependent kinase 2 | 1 |
| 16789733 | 10.1021/jm060347y | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine