Compound Detail
CHEMBL428944
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N[C@H]1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)C1
Basic Information
| ChEMBL ID | CHEMBL428944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVXNNCDQTCGDOV-IBGZPJMESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
521.5
MW (Da)
3.22
ALogP
8
HBA
3
HBD
126.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.72 | 6.72 | 190.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 190.0 | nM | 6.72 | Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expre... | 18289854 |
| Hepatocyte growth factor receptor | IC50 | = | 190.0 | nM | 6.72 | Inhibition of human c-MET | 21641696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18289854 | 10.1016/j.bmcl.2008.01.121 | Hepatocyte growth factor receptor | 1 |
| 21641696 | 10.1016/j.ejmech.2011.05.031 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine