Compound Detail
CHEMBL3286814
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Basic Information
| ChEMBL ID | CHEMBL3286814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPFKGTKMTHTBAD-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.3
MW (Da)
2.58
ALogP
6
HBA
2
HBD
109.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.66
Ki 2 meas. best 9.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | Ki | 9.44 | 9.12 | 0.4 | 2 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 7.66 | 7.33 | 22.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | Ki | = | 0.36 | nM | 9.44 | Inhibition of wild type human recombinant ALK kinase domain (amino acids 1093 to... | 24819116 |
| ALK tyrosine kinase receptor | Ki | = | 1.6 | nM | 8.8 | Inhibition of human recombinant ALK L1196M mutant kinase domain (amino acids 109... | 24819116 |
| ALK tyrosine kinase receptor | IC50 | = | 22.0 | nM | 7.66 | Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells as... | 24819116 |
| ALK tyrosine kinase receptor | IC50 | = | 101.0 | nM | 7.0 | Inhibition of human EML4-fused ALK L1196M mutant expressed in mouse NIH-3T3 cell... | 24819116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24819116 | 10.1021/jm500261q | ALK tyrosine kinase receptor | 4 |
| 24819116 | 10.1021/jm500261q | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine