Compound Detail
CHEMBL254704
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Basic Information
| ChEMBL ID | CHEMBL254704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDNMTYDKLBARGI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
4.22
ALogP
5
HBA
5
HBD
133.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 650.0 | nM | 6.19 | Inhibition of KDR | 17983745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17983745 | 10.1016/j.bmcl.2007.10.084 | Vascular endothelial growth factor receptor 2 | 2 |
| 17983745 | 10.1016/j.bmcl.2007.10.084 | A-431 | 1 |
| 17983745 | 10.1016/j.bmcl.2007.10.084 | Epidermal growth factor receptor | 1 |
| 17983745 | 10.1016/j.bmcl.2007.10.084 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 17983745 | 10.1016/j.bmcl.2007.10.084 | Vascular endothelial growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine