Compound Detail
CHEMBL429410
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@H]5CCCN5C)c4)nc3c2)ccn1
Basic Information
| ChEMBL ID | CHEMBL429410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMNCFOUKJYOZIF-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
508.0
MW (Da)
5.24
ALogP
8
HBA
2
HBD
101.8
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of KDR by HTRF assay | 18324761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18324761 | 10.1021/jm701097z | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine