Compound Detail
CHEMBL4875762
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
CC(C)n1cc(C(=O)Nc2ccc(-c3cn(C)c4ncnc(N)c34)cc2)c(=O)c(-c2ccc(F)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL4875762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFEZANCUVFZYLF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
5.02
ALogP
7
HBA
2
HBD
107.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.74 | 7.74 | 18.4 | 1 |
| MKN-45 CHEMBL614354 | IC50 | 7.07 | 7.07 | 85.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 0.4 | nM | 9.4 | Inhibition of AXL (unknown origin) by ELISA | 33957388 |
| Hepatocyte growth factor receptor | IC50 | = | 18.4 | nM | 7.74 | Inhibition of c-MET (unknown origin) by ELISA | 33957388 |
| MKN-45 | IC50 | = | 85.3 | nM | 7.07 | Antiproliferative activity against human MKN-45 cells incubated for 72 hrs | 33957388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33957388 | 10.1016/j.ejmech.2021.113497 | Tyrosine-protein kinase receptor UFO | 1 |
| 33957388 | 10.1016/j.ejmech.2021.113497 | Hepatocyte growth factor receptor | 1 |
| 33957388 | 10.1016/j.ejmech.2021.113497 | BaF3 | 1 |
| 33957388 | 10.1016/j.ejmech.2021.113497 | MKN-45 | 1 |
Data from ChEMBL 36 via Core Engine