Compound Detail
CHEMBL6047646
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COc1ccc(CCNCc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Basic Information
| ChEMBL ID | CHEMBL6047646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POQOPHUTAQLSQX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
566.1
MW (Da)
6.14
ALogP
8
HBA
3
HBD
105.2
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.4 | 7.9 | 4.0 | 2 |
| Insulin receptor CHEMBL1981 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of ALK WT Anaplastic Lymphoma Kinase Activity: The following experime... | - |
| Insulin receptor | IC50 | = | 20.0 | nM | 7.7 | Inhibition of ALK IR Anaplastic Lymphoma Kinase Activity: To measure the activit... | - |
| ALK tyrosine kinase receptor | IC50 | = | 40.0 | nM | 7.4 | Inhibition of ALK L1196M Anaplastic Lymphoma Kinase Activity: To measure the act... | - |
Data from ChEMBL 36 via Core Engine