Compound Detail
CHEMBL4846616
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Cc1nc(N)c2c(-c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(F)cc5)c4=O)cc3)cn(C)c2n1
Basic Information
| ChEMBL ID | CHEMBL4846616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWCJYALAMCYPDD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
566.6
MW (Da)
5.17
ALogP
8
HBA
2
HBD
117.1
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.8 | 6.8 | 158.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 5.1 | nM | 8.29 | Inhibition of AXL (unknown origin) by ELISA | 33957388 |
| Hepatocyte growth factor receptor | IC50 | = | 158.9 | nM | 6.8 | 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 |
Data from ChEMBL 36 via Core Engine