Compound Detail
CHEMBL2170806
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Basic Information
| ChEMBL ID | CHEMBL2170806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPTVBCUATPSHDI-CQSZACIVSA-N |
1
Targets
2
Activities
2
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
1.36
ALogP
8
HBA
1
HBD
98.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.85
Ki 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.6 | mL.min-1.g-1 | Homo sapiens |
| CL | 83.4 | mL.min-1.kg-1 | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
| T1/2 | 0.9 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | Ki | = | 7.0 | nM | 8.15 | Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to... | 22924734 |
| Hepatocyte growth factor receptor | IC50 | = | 14.0 | nM | 7.85 | Antagonist activity at c-MET receptor in human A549 cells assessed as inhibition... | 22924734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22924734 | 10.1021/jm300967g | Rattus norvegicus | 4 |
| 22924734 | 10.1021/jm300967g | No relevant target | 2 |
| 22924734 | 10.1021/jm300967g | Hepatocyte growth factor receptor | 2 |
| 22924734 | 10.1021/jm300967g | Caco-2 | 1 |
| 22924734 | 10.1021/jm300967g | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine