Compound Detail
CHEMBL4873716
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Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(C(F)(F)F)cc4)c3=O)cc2)c2c(N)ncnc21
Basic Information
| ChEMBL ID | CHEMBL4873716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STZMYLKPKCSIEC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
602.6
MW (Da)
5.74
ALogP
8
HBA
2
HBD
117.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
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 | 7.48 | 7.48 | 33.1 | 1 |
| MKN-45 CHEMBL614354 | IC50 | 6.08 | 6.08 | 826.3 | 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 | = | 33.1 | nM | 7.48 | Inhibition of c-MET (unknown origin) by ELISA | 33957388 |
| MKN-45 | IC50 | = | 826.3 | nM | 6.08 | 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