Compound Detail
CHEMBL5983550
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CCNC(=O)NCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Basic Information
| ChEMBL ID | CHEMBL5983550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRPOUFRDMKUUKI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
547.1
MW (Da)
4.67
ALogP
8
HBA
4
HBD
134.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.0 | 7.61 | 10.0 | 2 |
| Insulin receptor CHEMBL1981 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 10.0 | nM | 8.0 | Inhibition of ALK WT Anaplastic Lymphoma Kinase Activity: The following experime... | - |
| Insulin receptor | IC50 | = | 50.0 | nM | 7.3 | Inhibition of ALK IR Anaplastic Lymphoma Kinase Activity: To measure the activit... | - |
| ALK tyrosine kinase receptor | IC50 | = | 60.0 | nM | 7.22 | Inhibition of ALK L1196M Anaplastic Lymphoma Kinase Activity: To measure the act... | - |
Data from ChEMBL 36 via Core Engine