Compound Detail
CHEMBL1927771
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O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2cn3c(n2)sc2ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL1927771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUCNRALGPZNATI-AREMUKBSSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
666.6
MW (Da)
8.16
ALogP
5
HBA
2
HBD
75.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL2046265 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.69 | 6.2733 | 206.0 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.92 | 5.92 | 1190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 200.0 | nM | 6.7 | Inhibition of Met-triggered cell scattering in HGF-stimulated MDCK cells preincu... | 22738633 |
| Hepatocyte growth factor receptor | IC50 | = | 206.0 | nM | 6.69 | Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-inc... | 22138308 |
| Hepatocyte growth factor receptor | IC50 | = | 620.0 | nM | 6.21 | Inhibition of Met-mediated tumorigenesis in HGF-stimulated human HepG2 cells ass... | 22138308 |
| Hepatocyte growth factor receptor | IC50 | = | 1194.0 | nM | 5.92 | Inhibition of Met-mediated tumorigenesis in HGF-stimulated human GTL16 cells ass... | 22138308 |
| NON-PROTEIN TARGET | IC50 | = | 1190.0 | nM | 5.92 | Cytotoxicity against human GTL16 cells expressing MET assessed as inhibition of ... | 22738633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22138308 | 10.1016/j.ejmech.2011.10.051 | Hepatocyte growth factor receptor | 7 |
| 22138308 | 10.1016/j.ejmech.2011.10.051 | No relevant target | 4 |
| 22138308 | 10.1016/j.ejmech.2011.10.051 | MDCK | 2 |
| 22138308 | 10.1016/j.ejmech.2011.10.051 | HepG2 | 1 |
| 22138308 | 10.1016/j.ejmech.2011.10.051 | NON-PROTEIN TARGET | 1 |
| 22138308 | 10.1016/j.ejmech.2011.10.051 | BT-474 | 1 |
| 22138308 | 10.1016/j.ejmech.2011.10.051 | MCF7 | 1 |
| 22738633 | 10.1016/j.bmcl.2012.05.078 | Hepatocyte growth factor receptor | 1 |
| 22738633 | 10.1016/j.bmcl.2012.05.078 | MDCK | 1 |
| 22738633 | 10.1016/j.bmcl.2012.05.078 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine