Compound Detail
CHEMBL459850
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Basic Information
| ChEMBL ID | CHEMBL459850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWVLMQTXUWMUII-UHFFFAOYSA-N |
23
Targets
26
Activities
2
Assay Types
6
PK Parameters
20
Publications
0
Known Names
Molecular Properties
456.4
MW (Da)
4.21
ALogP
5
HBA
2
HBD
104.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 16 meas. best 8.7
IC50 10 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Fes/Fps CHEMBL5455 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Cytoplasmic tyrosine-protein kinase BMX CHEMBL3834 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Ephrin type-A receptor 3 CHEMBL4954 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Ephrin type-B receptor 4 CHEMBL5147 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Activated CDC42 kinase 1 CHEMBL4599 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Cytoplasmic tyrosine-protein kinase BMX CHEMBL3834 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| NT-3 growth factor receptor CHEMBL5608 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| Lysine--tRNA ligase CHEMBL5575 | EC50 | 7.15 | 7.15 | 71.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | EC50 | 7.11 | 7.11 | 77.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | EC50 | 6.63 | 6.63 | 236.0 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL3099 | IC50 | 6.61 | 6.61 | 243.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.53 | 6.2667 | 294.0 | 3 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 5.8 | 5.8 | 1567.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 52464.8 | ng.hr.mL-1 | Mus musculus |
| AUC | 36363.7 | ng.hr.mL-1 | Mus musculus |
| Cmax | 5273.54 | nM | Mus musculus |
| MRT | 18.1 | hr | Mus musculus |
| T1/2 | 12.4 | hr | Mus musculus |
| Tmax | 2.7 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine