Compound Detail
CHEMBL5595612
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CCn1cc(-c2ccc(C)c(C)c2)c(=O)c2c(Nc3ccc(Oc4ccnc5cc(OCC(C)(C)O)ccc45)c(F)c3)nccc21
Basic Information
| ChEMBL ID | CHEMBL5595612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBDXRRFVBRTNPY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
618.7
MW (Da)
8.07
ALogP
8
HBA
2
HBD
98.5
PSA (Ų)
0.17
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 7.63 | 7.63 | 23.3 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.46 | 6.46 | 347.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 23.3 | nM | 7.63 | Inhibition of recombinant AXL (unknown origin) by FRET based Z'-LYTE assay | 38169272 |
| Hepatocyte growth factor receptor | IC50 | = | 347.0 | nM | 6.46 | Inhibition of recombinant MET (unknown origin) | 38169272 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38169272 | 10.1016/j.ejmech.2023.116090 | Tyrosine-protein kinase receptor UFO | 1 |
| 38169272 | 10.1016/j.ejmech.2023.116090 | Hepatocyte growth factor receptor | 1 |
| 38169272 | 10.1016/j.ejmech.2023.116090 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine