Compound Detail
CHEMBL461648
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Basic Information
| ChEMBL ID | CHEMBL461648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKPJWGNTDNCFPS-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
5.53
ALogP
7
HBA
0
HBD
75.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.41
Ki 3 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | Ki | 7.41 | 7.41 | 39.0 | 1 |
| Hepatocyte growth factor CHEMBL5479 | IC50 | 6.5 | 6.465 | 313.0 | 2 |
| Macrophage-stimulating protein receptor CHEMBL2689 | Ki | 6.24 | 6.24 | 581.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.99 | 5.99 | 1030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 39.0 | nM | 7.41 | Inhibition of human c-MET | 21641696 |
| Hepatocyte growth factor receptor | Ki | = | 39.0 | nM | 7.41 | Inhibition of cMet by HTRF assay | 18763753 |
| Hepatocyte growth factor | IC50 | = | 313.0 | nM | 6.5 | Inhibition of human recombinant HGF-mediated cMet phosphorylation in human PC3 c... | 18763753 |
| Hepatocyte growth factor | IC50 | = | 368.0 | nM | 6.43 | Inhibition of human recombinant HGF-mediated cMet phosphorylation in mouse CT26 ... | 18763753 |
| Macrophage-stimulating protein receptor | Ki | = | 581.0 | nM | 6.24 | Inhibition of phosphorylated RON | 18763753 |
| Unchecked | Ki | = | 1030.0 | nM | 5.99 | Inhibition of IGFR | 18763753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18763753 | 10.1021/jm8006189 | Unchecked | 4 |
| 18763753 | 10.1021/jm8006189 | Hepatocyte growth factor | 2 |
| 18763753 | 10.1021/jm8006189 | Hepatocyte growth factor receptor | 1 |
| 18763753 | 10.1021/jm8006189 | Vascular endothelial growth factor receptor 2 | 1 |
| 18763753 | 10.1021/jm8006189 | Macrophage-stimulating protein receptor | 1 |
| 21641696 | 10.1016/j.ejmech.2011.05.031 | Hepatocyte growth factor receptor | 1 |
| 26169763 | 10.1016/j.bmc.2015.06.026 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine