Compound Detail
CHEMBL401838
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O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccnc3cc(C(=O)N4CCOCC4)sc23)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL401838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWCRGMTXRLQPSC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
550.6
MW (Da)
4.76
ALogP
7
HBA
2
HBD
92.8
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 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.9 | 6.9 | 125.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.54 | 6.54 | 289.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 125.0 | nM | 6.9 | Inhibition of GST tagged c-Met expressed in Sf9 cells | 18434145 |
| Hepatocyte growth factor receptor | IC50 | = | 125.0 | nM | 6.9 | Inhibition of human c-MET | 21641696 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 289.0 | nM | 6.54 | 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