Compound Detail
CHEMBL3286821
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Basic Information
| ChEMBL ID | CHEMBL3286821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASQDMAQHZGURLM-LBPRGKRZSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
3.24
ALogP
6
HBA
1
HBD
86.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | Ki | 7.77 | 7.49 | 17.0 | 2 |
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 | = | 17.0 | nM | 7.77 | Inhibition of wild type human recombinant ALK kinase domain (amino acids 1093 to... | 24819116 |
| ALK tyrosine kinase receptor | Ki | = | 61.0 | nM | 7.21 | Inhibition of human recombinant ALK L1196M mutant kinase domain (amino acids 109... | 24819116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24819116 | 10.1021/jm500261q | ALK tyrosine kinase receptor | 2 |
| 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