Compound Detail
CHEMBL5826500
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COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CN(C1CCNCC1)CC2
Basic Information
| ChEMBL ID | CHEMBL5826500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWUWJCBNFXGSHW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
571.1
MW (Da)
4.92
ALogP
9
HBA
3
HBD
108.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibitory Activity Against Anaplastic Lymphoma Kinase (ALK): A proliferation in... | - |
Data from ChEMBL 36 via Core Engine