Compound Detail
CHEMBL179517
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Basic Information
| ChEMBL ID | CHEMBL179517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXNBMSYVEGVRON-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
3.83
ALogP
7
HBA
3
HBD
94.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell line CHEMBL614840 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 116.56 | ng.hr.mL-1 | Mus musculus |
| Cmax | 166.0 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell line | IC50 | = | 8.0 | nM | 8.1 | Inhibitory concentration against Human umbilical vein endothelial cells stimulat... | 15713401 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 18.0 | nM | 7.75 | Inhibitory concentration against Vascular endothelial growth factor receptor 2 | 15713401 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713401 | 10.1016/j.bmcl.2004.12.079 | ADMET | 3 |
| 15713401 | 10.1016/j.bmcl.2004.12.079 | Vascular endothelial growth factor receptor 2 | 1 |
| 15713401 | 10.1016/j.bmcl.2004.12.079 | Cell line | 1 |
Data from ChEMBL 36 via Core Engine