Compound Detail
CHEMBL453058
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Basic Information
| ChEMBL ID | CHEMBL453058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXMYMBSUHVYPRA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.9
MW (Da)
5.28
ALogP
6
HBA
3
HBD
102.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.4 | 8.25 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of KDR by HTRF assay | 18557606 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells by ELISA | 18557606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18557606 | 10.1021/jm701397k | Vascular endothelial growth factor receptor 2 | 2 |
| 18557606 | 10.1021/jm701397k | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine