Compound Detail
CHEMBL224918
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Basic Information
| ChEMBL ID | CHEMBL224918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYAAXXKZZZOCHM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
4.78
ALogP
6
HBA
1
HBD
68.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.82 | 7.515 | 15.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 41.67 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 3.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T... | 17425296 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 62.0 | nM | 7.21 | Inhibition of human KDR kinase by HTRF assay | 17425296 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current... | 17425296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17425296 | 10.1021/jm061223o | Vascular endothelial growth factor receptor 2 | 2 |
| 17425296 | 10.1021/jm061223o | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 17425296 | 10.1021/jm061223o | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine