Compound Detail
CHEMBL254761
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CN1CCN(C(=O)c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)CC1
Basic Information
| ChEMBL ID | CHEMBL254761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVUINRBQOUDLSO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
563.7
MW (Da)
4.67
ALogP
7
HBA
2
HBD
86.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.71 | 6.71 | 193.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.46 | 6.46 | 344.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 193.0 | nM | 6.71 | Inhibition of GST tagged c-Met expressed in Sf9 cells | 18434145 |
| Hepatocyte growth factor receptor | IC50 | = | 193.0 | nM | 6.71 | Inhibition of human c-MET | 21641696 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 344.0 | nM | 6.46 | Inhibition of GST tagged VEGFR2 expressed in Sf9 cells | 18434145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18434145 | 10.1016/j.bmcl.2008.04.009 | Hepatocyte growth factor receptor | 1 |
| 18434145 | 10.1016/j.bmcl.2008.04.009 | Vascular endothelial growth factor receptor 2 | 1 |
| 21641696 | 10.1016/j.ejmech.2011.05.031 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine