Compound Detail
CHEMBL188997
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
CN(c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL188997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPCZPSTVIFPUHB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
588.6
MW (Da)
6.33
ALogP
7
HBA
3
HBD
116.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2.0 | nM | 8.7 | Inhibitory concentration against human VEGFR2 kinase | 15990302 |
| HUVEC | IC50 | = | 2.0 | nM | 8.7 | 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