Compound Detail
CHEMBL4130209
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4130209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEUZLDSGYXKDAO-GFCCVEGCSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
2.66
ALogP
7
HBA
1
HBD
110.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.26
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | Ki | = | 4.0 | nM | 8.4 | Inhibition of ALK L1196M mutant (unknown origin) | 29589935 |
| ALK tyrosine kinase receptor | IC50 | = | 5.5 | nM | 8.26 | Assay for Inhibition of ALK Tyrosine Kinase Activity: The inhibition of ALK tyro... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29589935 | 10.1021/acs.jmedchem.8b00077 | No relevant target | 1 |
| 29589935 | 10.1021/acs.jmedchem.8b00077 | ALK tyrosine kinase receptor | 1 |
Data from ChEMBL 36 via Core Engine