Compound Detail
CHEMBL5804159
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Basic Information
| ChEMBL ID | CHEMBL5804159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZAWNQULYQTFPH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
534.0
MW (Da)
4.02
ALogP
9
HBA
4
HBD
142.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.42 | 8.06 | 3.8 | 2 |
| Insulin receptor CHEMBL1981 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 3.8 | nM | 8.42 | Inhibition of ALK WT Anaplastic Lymphoma Kinase Activity: The following experime... | - |
| Insulin receptor | IC50 | = | 10.0 | nM | 8.0 | Inhibition of ALK IR Anaplastic Lymphoma Kinase Activity: To measure the activit... | - |
| ALK tyrosine kinase receptor | IC50 | = | 20.0 | nM | 7.7 | Inhibition of ALK L1196M Anaplastic Lymphoma Kinase Activity: To measure the act... | - |
Data from ChEMBL 36 via Core Engine