Compound Detail
CHEMBL2431816
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Basic Information
| ChEMBL ID | CHEMBL2431816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUIUZHJXBDSQEZ-NSHDSACASA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
2.97
ALogP
6
HBA
2
HBD
83.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.72
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | Ki | 8.0 | 8.0 | 10.1 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 25.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | Ki | = | 10.1 | nM | 8.0 | Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) usin... | 23944843 |
| Hepatocyte growth factor receptor | IC50 | = | 19.0 | nM | 7.72 | Inhibition of c-Met autophosphorylation in human A549 cells after 1 hr by ELISA | 23944843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23944843 | 10.1021/jm400926x | Hepatocyte growth factor receptor | 2 |
| 23944843 | 10.1021/jm400926x | No relevant target | 1 |
| 23944843 | 10.1021/jm400926x | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine