Compound Detail
CHEMBL400101
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Basic Information
| ChEMBL ID | CHEMBL400101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXQGWOAQQXVEMW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.65
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | Ki | = | 320.0 | nM | 6.5 | Inhibition of phosphorylated-Kdr after 30 mins | 17869515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17869515 | 10.1016/j.bmcl.2007.07.077 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine