Compound Detail
CHEMBL118748
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Basic Information
| ChEMBL ID | CHEMBL118748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMILXTHDUASSHT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
4.65
ALogP
5
HBA
3
HBD
98.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
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 |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.7 | mL.min-1.kg-1 | Canis lupus familiaris |
| T1/2 | 3.2 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of VEGF receptor 2 mediated phosphorylation of poly-Glu/Tyr (4:1) | 14698157 |
| Unchecked | IC50 | = | 41.0 | nM | 7.39 | Compound was tested for the inhibition of VEGF-stimulated mitogenesis as determi... | 14698157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14698157 | 10.1016/j.bmcl.2003.11.007 | Canis familiaris | 2 |
| 14698157 | 10.1016/j.bmcl.2003.11.007 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 14698157 | 10.1016/j.bmcl.2003.11.007 | Vascular endothelial growth factor receptor 2 | 1 |
| 14698157 | 10.1016/j.bmcl.2003.11.007 | Unchecked | 1 |
| 14698157 | 10.1016/j.bmcl.2003.11.007 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine