Compound Detail
CHEMBL4573293
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Basic Information
| ChEMBL ID | CHEMBL4573293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEPIXSNYZDRAQN-CYBMUJFWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
3.16
ALogP
6
HBA
1
HBD
86.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL5771 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.18 | 8.015 | 6.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 0.7 | nM | 9.15 | Inhibition of ALK in mouse NIH-3T3 cells | 31419130 |
| ALK tyrosine kinase receptor | IC50 | = | 6.6 | nM | 8.18 | Inhibition of ALK L1196M mutant in mouse NIH-3T3 cells | 31419130 |
| ALK tyrosine kinase receptor | IC50 | = | 14.0 | nM | 7.85 | Inhibition of ALK L1196M (unknown origin) | 31419130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31419130 | 10.1021/acs.jmedchem.9b00446 | ALK tyrosine kinase receptor | 3 |
| 31419130 | 10.1021/acs.jmedchem.9b00446 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine