Compound Detail
CHEMBL5569554
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CCn1cc(-c2cccc(C)c2)c(=O)c2c(Nc3ccc(Oc4ccnc5cc(OCC(C)(C)O)ccc45)c(F)c3)nccc21
Basic Information
| ChEMBL ID | CHEMBL5569554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRDGZPOCAQZKMY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
604.7
MW (Da)
7.76
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 3 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.55 | 7.55 | 28.2 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.26 | 7.26 | 55.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.595 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 3.1 | nM | 8.51 | Inhibition of recombinant AXL (unknown origin) by FRET based Z'-LYTE assay | 38169272 |
| Unchecked | IC50 | = | 28.2 | nM | 7.55 | Antiproliferative activity against mouse BaF3/TEL-AXL cells | 38169272 |
| Hepatocyte growth factor receptor | IC50 | = | 55.3 | nM | 7.26 | 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 |
| 38169272 | 10.1016/j.ejmech.2023.116090 | ADMET | 1 |
| 38169272 | 10.1016/j.ejmech.2023.116090 | Unchecked | 1 |
| 38169272 | 10.1016/j.ejmech.2023.116090 | EBC-1 | 1 |
Data from ChEMBL 36 via Core Engine