Compound Detail
CHEMBL2046801
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O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(Cc1ccccc1)c1cn(-c2ccc(-c3cn4c(n3)sc3ccccc34)cc2)nn1
Basic Information
| ChEMBL ID | CHEMBL2046801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTAJQEWXJJHUJL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
690.7
MW (Da)
8.48
ALogP
7
HBA
1
HBD
77.1
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL2046265 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 600.0 | nM | 6.22 | Inhibition of Met-triggered cell scattering in HGF-stimulated MDCK cells preincu... | 22738633 |
| NON-PROTEIN TARGET | IC50 | = | 8500.0 | nM | 5.07 | Cytotoxicity against human GTL16 cells expressing MET assessed as inhibition of ... | 22738633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22738633 | 10.1016/j.bmcl.2012.05.078 | Hepatocyte growth factor receptor | 2 |
| 22738633 | 10.1016/j.bmcl.2012.05.078 | NON-PROTEIN TARGET | 2 |
| 22738633 | 10.1016/j.bmcl.2012.05.078 | MDCK | 1 |
| 22738633 | 10.1016/j.bmcl.2012.05.078 | Unchecked | 1 |
| 22738633 | 10.1016/j.bmcl.2012.05.078 | NCI-H1437 | 1 |
Data from ChEMBL 36 via Core Engine