Compound Detail
CHEMBL518209
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Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)C5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1
Basic Information
| ChEMBL ID | CHEMBL518209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTBUICNMPXYSAM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
527.6
MW (Da)
5.62
ALogP
7
HBA
1
HBD
89.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.46 | 7.1167 | 35.0 | 3 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 14.0 | % | Rattus norvegicus |
| T1/2 | 1.1 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 35.0 | nM | 7.46 | Inhibition of GST-fused recombinant c-Met catalytic domain expressed in baculovi... | 19211249 |
| Hepatocyte growth factor receptor | IC50 | = | 35.0 | nM | 7.46 | Inhibition of human c-MET | 21641696 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 39.0 | nM | 7.41 | Inhibition of GST-fused recombinant VGFR2 catalytic domain expressed in baculovi... | 19211249 |
| Hepatocyte growth factor receptor | IC50 | = | 370.0 | nM | 6.43 | Inhibition of TPR-fused Met phosphorylation expressed in human 293T cells by ELI... | 19211249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19211249 | 10.1016/j.bmcl.2009.01.068 | Hepatocyte growth factor receptor | 2 |
| 19211249 | 10.1016/j.bmcl.2009.01.068 | Rattus norvegicus | 2 |
| 19211249 | 10.1016/j.bmcl.2009.01.068 | 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