Compound Detail
CHEMBL523413
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Basic Information
| ChEMBL ID | CHEMBL523413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJGVKCJCLAXBPM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
6
PK Parameters
4
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.85
ALogP
7
HBA
1
HBD
76.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.7 | 8.61 | 2.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5100.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 420.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 173.0 | mL.min-1.g-1 | Mus musculus |
| CL | 4.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 59.0 | % | Rattus norvegicus |
| T1/2 | 2.58 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 2.0 | nM | 8.7 | Inhibition of HGF-mediated c-Met phosphorylation in serum-starved human PC2 cell... | 18426196 |
| Hepatocyte growth factor receptor | IC50 | = | 3.0 | nM | 8.52 | Inhibition of c-Met by HTRF assay | 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 |
Data from ChEMBL 36 via Core Engine