Compound Detail
CHEMBL5793829
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COc1cc(C2=NC(C)N=C2)c(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Basic Information
| ChEMBL ID | CHEMBL5793829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCOHYEKTOQNKTL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
556.1
MW (Da)
4.53
ALogP
10
HBA
3
HBD
143.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 4.8 | nM | 8.32 | Inhibition of ALK WT Anaplastic Lymphoma Kinase Activity: The following experime... | - |
Data from ChEMBL 36 via Core Engine