Compound Detail
CHEMBL221574
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Basic Information
| ChEMBL ID | CHEMBL221574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWCONRLOJMQZQS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
5.15
ALogP
6
HBA
3
HBD
97.4
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.82 | 7.475 | 15.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells by ELISA | 17343372 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 74.0 | nM | 7.13 | Inhibition of KDR by HTRF assay | 17343372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17343372 | 10.1021/jm061280h | Vascular endothelial growth factor receptor 2 | 2 |
| 17343372 | 10.1021/jm061280h | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine