Compound Detail
CHEMBL2046839
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Basic Information
| ChEMBL ID | CHEMBL2046839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGKLAQIUUAXZOK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
5.19
ALogP
2
HBA
4
HBD
89.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of KDR in presence of 1 mM ATP | 22738639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22738639 | 10.1016/j.bmcl.2012.06.009 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine