Compound Detail
CHEMBL1824871
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Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1OCc1ccccc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL1824871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBZNTJZERXQKQT-XMMPIXPASA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
5.63
ALogP
5
HBA
1
HBD
71.7
PSA (Ų)
0.43
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.15
Ki 1 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | Ki | 5.59 | 5.59 | 2590.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 5.15 | 5.15 | 7110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | Ki | = | 2590.0 | nM | 5.59 | Binding affinity to human recombinant c-MET assessed as inhibition of autophosph... | 21812414 |
| Hepatocyte growth factor receptor | IC50 | = | 7110.0 | nM | 5.15 | Inhibition of human recombinant c-MET kinase expressed in A549 cells assessed as... | 21812414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21812414 | 10.1021/jm2007613 | Hepatocyte growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine