Compound Detail
CHEMBL510814
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Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5ccc6c(c5)OCO6)cnn4c3N)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL510814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHEHFBYATJJVCC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
478.5
MW (Da)
5.33
ALogP
7
HBA
3
HBD
115.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.77 | 7.725 | 17.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of KDR by HTRF assay | 18557606 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 21.0 | nM | 7.68 | 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 |
Data from ChEMBL 36 via Core Engine