Compound Detail
CHEMBL508142
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
CN1CCN(CC(=O)c2c[nH]c3nccc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1
Basic Information
| ChEMBL ID | CHEMBL508142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPSRWRRUASWMRM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
562.6
MW (Da)
3.95
ALogP
7
HBA
3
HBD
119.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.96 | 7.96 | 11.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.65 | 5.65 | 2220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 11.0 | nM | 7.96 | Inhibition of Met kinase | 18479916 |
| Hepatocyte growth factor receptor | IC50 | = | 11.0 | nM | 7.96 | Inhibition of human c-MET | 21641696 |
| NON-PROTEIN TARGET | IC50 | = | 2220.0 | nM | 5.65 | Antiproliferative activity against human GTL16 cells | 18479916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18479916 | 10.1016/j.bmcl.2008.04.047 | Hepatocyte growth factor receptor | 1 |
| 18479916 | 10.1016/j.bmcl.2008.04.047 | NON-PROTEIN TARGET | 1 |
| 21641696 | 10.1016/j.ejmech.2011.05.031 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine