Compound Detail
CHEMBL1823219
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Basic Information
| ChEMBL ID | CHEMBL1823219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLCNXDDEUFFHJM-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
3.74
ALogP
5
HBA
1
HBD
72.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 7.97 | 7.97 | 10.6 | 1 |
| KARPAS-299 CHEMBL2366156 | IC50 | 7.83 | 7.83 | 14.8 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.3 | 7.3 | 49.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.22 | 7.22 | 60.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.0 | mL.min-1.g-1 | Mus musculus |
| CL | 22.6 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 10.6 | nM | 7.97 | Inhibition of ALK activity by TR-FRET assay | 21823617 |
| KARPAS-299 | IC50 | = | 14.8 | nM | 7.83 | Antiproliferative activity against of human KARPAS299 cells after 96 hrs by cell... | 21823617 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 49.8 | nM | 7.3 | Inhibition of KIT activity by TR-FRET assay | 21823617 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 60.8 | nM | 7.22 | Inhibition of KDR activity by TR-FRET assay | 21823617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21823617 | 10.1021/jm200652u | Liver | 1 |
| 21823617 | 10.1021/jm200652u | Liver microsomes | 1 |
| 21823617 | 10.1021/jm200652u | KARPAS-299 | 1 |
| 21823617 | 10.1021/jm200652u | Hepatocyte growth factor receptor | 1 |
| 21823617 | 10.1021/jm200652u | Mast/stem cell growth factor receptor Kit | 1 |
| 21823617 | 10.1021/jm200652u | Vascular endothelial growth factor receptor 2 | 1 |
| 21823617 | 10.1021/jm200652u | ALK tyrosine kinase receptor | 1 |
Data from ChEMBL 36 via Core Engine