Compound Detail
CHEMBL4845677
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CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(-c3cn(C)c4ncnc(N)c34)cc2)c(=O)c(-c2ccc(F)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL4845677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDNNDJSNBJTEFQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
539.6
MW (Da)
3.53
ALogP
8
HBA
2
HBD
128.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.74 | 7.74 | 18.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 0.5 | nM | 9.3 | 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 |
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