Compound Detail
CHEMBL187609
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CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
Basic Information
| ChEMBL ID | CHEMBL187609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMDSDIMLVJXMJA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
586.6
MW (Da)
6.08
ALogP
8
HBA
3
HBD
125.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 6.0 | nM | 8.22 | Inhibitory concentration against human VEGFR2 kinase | 15990302 |
| HUVEC | IC50 | = | 7.0 | nM | 8.15 | Inhibitory concentration against human umbilical vein endothelial cells (HUVECs)... | 15990302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15990302 | 10.1016/j.bmcl.2005.05.096 | Vascular endothelial growth factor receptor 2 | 1 |
| 15990302 | 10.1016/j.bmcl.2005.05.096 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine