Compound Detail
CHEMBL499886
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Basic Information
| ChEMBL ID | CHEMBL499886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYFJYOVDYFGZDE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
452.4
MW (Da)
4.02
ALogP
5
HBA
4
HBD
116.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of Met kinase | 18479916 |
| Hepatocyte growth factor receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human c-MET | 21641696 |
| NON-PROTEIN TARGET | IC50 | = | 180.0 | nM | 6.75 | Antiproliferative activity against human GTL16 cells | 18479916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18479916 | 10.1016/j.bmcl.2008.04.047 | Hepatocyte growth factor receptor | 1 |
| 18479916 | 10.1016/j.bmcl.2008.04.047 | NON-PROTEIN TARGET | 1 |
| 21641696 | 10.1016/j.ejmech.2011.05.031 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine