Compound Detail
CHEMBL3128060
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 | CHEMBL3128060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEAYZBGGCSQPKK-LLVKDONJSA-N |
1
Targets
6
Activities
2
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
2.32
ALogP
9
HBA
1
HBD
109.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.6
Ki 3 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | Ki | 8.05 | 7.4567 | 9.0 | 3 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 6.6 | 5.92 | 249.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | Ki | = | 9.0 | nM | 8.05 | Inhibition of wild type human recombinant ALK kinase domain (amino acids 1093 to... | 24819116 |
| ALK tyrosine kinase receptor | Ki | = | 70.0 | nM | 7.16 | Inhibition of human recombinant ALK L1196M mutant kinase domain (amino acids 109... | 24432909 |
| ALK tyrosine kinase receptor | Ki | = | 70.0 | nM | 7.16 | Inhibition of human recombinant ALK L1196M mutant kinase domain (amino acids 109... | 24819116 |
| ALK tyrosine kinase receptor | IC50 | = | 249.0 | nM | 6.6 | Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells as... | 24819116 |
| ALK tyrosine kinase receptor | IC50 | = | 2650.0 | nM | 5.58 | Inhibition of human EML4-fused ALK L1196M mutant expressed in mouse NIH-3T3 cell... | 24432909 |
| ALK tyrosine kinase receptor | IC50 | = | 2650.0 | nM | 5.58 | 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 |
| 24432909 | 10.1021/jm401805h | ALK tyrosine kinase receptor | 2 |
| 24432909 | 10.1021/jm401805h | ADMET | 1 |
| 24432909 | 10.1021/jm401805h | Liver microsome | 1 |
| 24432909 | 10.1021/jm401805h | No relevant target | 1 |
| 24819116 | 10.1021/jm500261q | No relevant target | 1 |
| 24819116 | 10.1021/jm500261q | Liver microsome | 1 |
| 24819116 | 10.1021/jm500261q | MDCK | 1 |
Data from ChEMBL 36 via Core Engine