Compound Detail
CHEMBL494985
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Basic Information
| ChEMBL ID | CHEMBL494985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AELVRPDBJHETKG-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
6
PK Parameters
5
Publications
0
Known Names
Molecular Properties
393.8
MW (Da)
3.10
ALogP
6
HBA
2
HBD
92.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 9.0 | 8.9 | 1.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | - | Rattus norvegicus |
| CL | 77.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 61.0 | mL.min-1.g-1 | Mus musculus |
| CL | 100.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
| T1/2 | 0.7 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of c-Met by HTRF assay | 18426196 |
| Hepatocyte growth factor receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human c-MET | 21641696 |
| Hepatocyte growth factor receptor | IC50 | = | 2.0 | nM | 8.7 | Inhibition of HGF-mediated c-Met phosphorylation in serum-starved human PC2 cell... | 18426196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18426196 | 10.1021/jm800043g | Rattus norvegicus | 5 |
| 18426196 | 10.1021/jm800043g | Hepatocyte growth factor receptor | 2 |
| 18426196 | 10.1021/jm800043g | Liver microsomes | 1 |
| 18426196 | 10.1021/jm800043g | ADMET | 1 |
| 21641696 | 10.1016/j.ejmech.2011.05.031 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine