Compound Detail
CHEMBL3414913
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Basic Information
| ChEMBL ID | CHEMBL3414913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTKKFHIXNHMTGS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
4.53
ALogP
7
HBA
0
HBD
78.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.52 | 8.31 | 3.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 42962.37 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 0.1667 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 35.0 | % | Rattus norvegicus |
| t1/2 | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 3.0 | nM | 8.52 | Inhibition of recombinant c-Met kinase domain (unknown origin) incubated for 30 ... | 25699405 |
| Hepatocyte growth factor receptor | IC50 | = | 8.0 | nM | 8.1 | Inhibition of HGF-stimulated c-Met autophosphorylation in serum starved human PC... | 25699405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25699405 | 10.1021/jm501913a | Rattus norvegicus | 5 |
| 25699405 | 10.1021/jm501913a | Liver microsome | 3 |
| 25699405 | 10.1021/jm501913a | Hepatocyte growth factor receptor | 2 |
| 25699405 | 10.1021/jm501913a | Cytochrome P450 2D6 | 1 |
| 25699405 | 10.1021/jm501913a | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine