Compound Detail
CHEMBL2170953
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 | CHEMBL2170953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROQBRRPMJTVERD-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
5
PK Parameters
8
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
1.40
ALogP
7
HBA
1
HBD
95.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.47
Ki 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | Ki | 7.82 | 7.82 | 15.0 | 2 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.47 | 7.47 | 34.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.6 | mL.min-1.g-1 | Homo sapiens |
| CL | 26.7 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 7.6 | mL.min-1.g-1 | Homo sapiens |
| F | 75.0 | % | Rattus norvegicus |
| T1/2 | 1.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | Ki | = | 15.0 | nM | 7.82 | Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to... | 22924734 |
| Hepatocyte growth factor receptor | Ki | = | 15.0 | nM | 7.82 | Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) usin... | 23944843 |
| Hepatocyte growth factor receptor | IC50 | = | 34.0 | nM | 7.47 | Antagonist activity at c-MET receptor in human A549 cells assessed as inhibition... | 22924734 |
| Hepatocyte growth factor receptor | IC50 | = | 34.0 | nM | 7.47 | Inhibition of c-Met autophosphorylation in human A549 cells after 1 hr by ELISA | 23944843 |
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 |
| 23944843 | 10.1021/jm400926x | Hepatocyte growth factor receptor | 2 |
| 22924734 | 10.1021/jm300967g | Caco-2 | 1 |
| 22924734 | 10.1021/jm300967g | Liver microsomes | 1 |
| 23944843 | 10.1021/jm400926x | No relevant target | 1 |
| 23944843 | 10.1021/jm400926x | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine