Compound Detail
CHEMBL1802829
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1802829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYNVIPPTDMPZRW-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
6
PK Parameters
9
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
2.37
ALogP
6
HBA
1
HBD
97.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.4 | 7.328 | 4.0 | 5 |
| Macrophage-stimulating protein receptor CHEMBL2689 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 57.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 40.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 16.0 | % | Canis lupus familiaris |
| F | 24.0 | % | Rattus norvegicus |
| T1/2 | 0.8 | hr | Canis lupus familiaris |
| 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 | = | 4.0 | nM | 8.4 | Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylate... | 21608528 |
| Hepatocyte growth factor receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECON... | 23379595 |
| Macrophage-stimulating protein receptor | IC50 | = | 7.0 | nM | 8.15 | Inhibition of RON (unknown origin) by TR-FRET assay | 23379595 |
| Hepatocyte growth factor receptor | IC50 | = | 80.0 | nM | 7.1 | Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylat... | 21608528 |
| Hepatocyte growth factor receptor | IC50 | = | 80.0 | nM | 7.1 | Inhibition of HGF-stimulated c-MET (unknown origin) autophosphorylation at tyros... | 23379595 |
| Hepatocyte growth factor receptor | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of c-MET (unknown origin) expressed in human GTL16 cells assessed as ... | 23379595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23379595 | 10.1021/jm301619u | Canis familiaris | 4 |
| 23379595 | 10.1021/jm301619u | Rattus norvegicus | 4 |
| 23379595 | 10.1021/jm301619u | Hepatocyte growth factor receptor | 3 |
| 21608528 | 10.1021/jm200112k | Hepatocyte growth factor receptor | 2 |
| 23379595 | 10.1021/jm301619u | Cytochrome P450 3A4 | 2 |
| 21608528 | 10.1021/jm200112k | Unchecked | 1 |
| 21608528 | 10.1021/jm200112k | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 23379595 | 10.1021/jm301619u | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 23379595 | 10.1021/jm301619u | Macrophage-stimulating protein receptor | 1 |
Data from ChEMBL 36 via Core Engine