Compound Detail
CHEMBL3786495
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 | CHEMBL3786495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUXVJMKIENAXGE-GFCCVEGCSA-N |
1
Targets
2
Activities
1
Assay Types
10
PK Parameters
8
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
3.15
ALogP
8
HBA
0
HBD
91.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
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 | 8.285 | 3.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 31.67 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 6.333 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 8.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 5.0 | mL.min-1.g-1 | Mus musculus |
| CL | 14.0 | mL.min-1.g-1 | Homo sapiens |
| F | 44.0 | % | Rattus norvegicus |
| Fu | 0.196 | - | Rattus norvegicus |
| Fu | 0.245 | - | Mus musculus |
| Fu | 0.32 | - | Homo sapiens |
| T1/2 | 0.8 | hr | 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 MET (unknown origin) using gastrin peptide as substrat... | 26812066 |
| Hepatocyte growth factor receptor | IC50 | = | 9.0 | nM | 8.05 | Inhibition of HGF-mediated MET autophosphorylation in human PC3 cells preincubat... | 26812066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26812066 | 10.1021/acs.jmedchem.5b01716 | Mus musculus | 6 |
| 26812066 | 10.1021/acs.jmedchem.5b01716 | Rattus norvegicus | 5 |
| 26812066 | 10.1021/acs.jmedchem.5b01716 | Hepatocyte growth factor receptor | 2 |
| 26812066 | 10.1021/acs.jmedchem.5b01716 | Cytochrome P450 3A4 | 2 |
| 26812066 | 10.1021/acs.jmedchem.5b01716 | Plasma | 2 |
| 26812066 | 10.1021/acs.jmedchem.5b01716 | Molecular identity unknown | 2 |
| 26812066 | 10.1021/acs.jmedchem.5b01716 | Liver microsome | 2 |
| 26812066 | 10.1021/acs.jmedchem.5b01716 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine